SCHEMBL9004049

SCHEMBL9004049

CC(C)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 3/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
S100A4 P26447 2/20 0.40
PDK1 Q15118 1/20 0.40
PTPRC P08575 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7858061 0.86 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL27841207 0.86 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL16951733 0.86 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL16797211 0.83 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL29509474 0.83 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL18867119 0.83 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL28706453 0.83 TDP1 (0.43) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL10908389 0.82 TDP1 (0.42) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL10685950 0.82 CYP1A2 (0.49) TDP1TSHRGPR35ALDH1A1CYP1A2
SCHEMBL16119496 0.81 CYP1A2 (0.47) TDP1TSHRSMN1; SMN2GPR35ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (CH) 2023-03-28 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 US disclosed
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 TDP1 103/4885TSHR 4635/4885SMN1; SMN2 3736/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 TDP1 2808/4885TSHR 3523/4885SMN1; SMN2 2155/4885
US-11612604-B2 Methods of treating cancer with PLK4 inhibitors PLK4, PLK2, PLK3 TDP1 1507/4885TSHR 4254/4885SMN1; SMN2 3073/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TDP1 2867/4885TSHR 4633/4885SMN1; SMN2 4140/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TDP1 700/4885TSHR 3159/4885SMN1; SMN2 4194/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 TDP1 750/4885TSHR 3113/4885SMN1; SMN2 2891/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TDP1 2867/4885TSHR 4633/4885SMN1; SMN2 4140/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TDP1 2415/4885TSHR 2837/4885SMN1; SMN2 2352/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TDP1 2867/4885TSHR 4633/4885SMN1; SMN2 4140/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TDP1 2867/4885TSHR 4633/4885SMN1; SMN2 4140/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK TDP1 1864/4885TSHR 3606/4885SMN1; SMN2 4778/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TDP1 3334/4885TSHR 4677/4885SMN1; SMN2 4098/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.