SCHEMBL77622

SCHEMBL77622

CC(C)(C)c1nc(-c2ccccc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.57
NOTUM Q6P988 2/20 0.53
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
NFKB1 P19838 4/20 0.51
NFKB2 Q00653 4/20 0.51
RELA Q04206 4/20 0.51
GPR55 Q9Y2T6 1/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
S1PR1 P21453 1/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TP53 P04637 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.46
CHUK O15111 1/20 0.46

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
SCHEMBL15235424 0.85 NOTUM (0.55) NR1H4NOTUMRAB9ANPC1NFKB1
SCHEMBL13271394 0.83 NPC1 (0.61) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL31375602 0.83 NPC1 (0.54) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL14349374 0.82 NR1H4 (0.50) NR1H4NOTUMRAB9ANPC1NFKB1
SCHEMBL23917850 0.81 NR1H4 (0.56) NR1H4NOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL6497959 0.81 AOC3 (0.50) NOTUMRAB9ANPC1S1PR1MAPT
SCHEMBL21889831 0.81 AOC3 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL5648596 0.81 NR1H4 (0.54) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL29277446 0.81 AOC3 (0.44) RAB9ANPC1S1PR1MAPTL3MBTL1
SCHEMBL14349556 0.81 CHRNB2 (0.63) RAB9ANPC1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
US-20230134821-A1 MYC-MAX INHIBITOR COMPOUND THERAPEUTICS FOR CANCER TREATMENT, METHODS AND USES ASSOCIATED THEREWITH THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-05-04 US disclosed
US-20230134821-A1 MYC-MAX INHIBITOR COMPOUND THERAPEUTICS FOR CANCER TREATMENT, METHODS AND USES ASSOCIATED THEREWITH THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-05-04 US disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
US-7659402-B2 use as pain relievers, gastrointestinal disorders; 2-Amino-3-aryl-1-[3-((hetero)aryl)piperidin-1-yl]-propan-1-one compounds JANSSEN PHARMACEUTICA, NV (BE) 2010-02-09 US disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7202381-B2 Compounds as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2007-04-10 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 (9 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 NR1H4 126/4885NOTUM 4658/4885RAB9A 3552/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT NR1H4 113/4885NOTUM 4383/4885RAB9A 4428/4885
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 NR1H4 89/4885NOTUM 4745/4885RAB9A 3800/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NR1H4 4588/4885NOTUM 937/4885RAB9A 3465/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG NR1H4 4508/4885NOTUM 3492/4885RAB9A 361/4885
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 NR1H4 2784/4885NOTUM 25/4885RAB9A 1883/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NR1H4 487/4885NOTUM 1295/4885RAB9A 2014/4885
US-20230134821-A1 MYC-MAX INHIBITOR COMPOUND THERAPEUTICS FOR CANCER TREATMENT, METHODS AND USES ASSOCIATED THEREWITH MYC, MYCBP, MAX NR1H4 4656/4885NOTUM 4142/4885RAB9A 2681/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 NR1H4 42/4885NOTUM 4611/4885RAB9A 2453/4885

“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.