SCHEMBL3733939

SCHEMBL3733939

CCC(C(=O)O)n1ccnc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP8 Q14790 1/20 0.34
FPR2 P25090 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2559545 0.80 HSD17B10 (0.51) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL315254 0.79 CYP26A1 (0.40) SMN1; SMN2KDM4EALDH1A1HSD17B10PPARG
SCHEMBL2556179 0.78 BRD4 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL5655855 0.77 ADORA2A (0.34) ALDH1A1
SCHEMBL14487736 0.76 SMN1; SMN2 (0.48) FPR2SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL15330841 0.76 L3MBTL1 (0.38)
SCHEMBL23965866 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8741557 0.73 LMNA (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL28520005 0.73 FPR2 (0.47) FPR2SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL2555929 0.72 SMN1; SMN2 (0.30) SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642848-B Synthesis and application of visible light and near-infrared fluorescent dye 宿迁艾瑞斯生物科技有限公司 2021-05-07 CN disclosed
CN-110642848-A Synthesis and application of novel visible light and near-infrared fluorescent dye 宿迁艾瑞斯生物科技有限公司 2020-01-03 CN disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 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 (2 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 CASP1 143/4885CASP3 57/4885CASP7 100/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 CASP1 1857/4885CASP3 2447/4885CASP7 2162/4885

“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.