SCHEMBL3602684

SCHEMBL3602684

O=C(Cc1csc(N(Cc2ccncc2)C(=O)O)n1)NOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.43
MMP2 P08253 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GSTO1 P78417 2/20 0.40
CPB1 P15086 1/20 0.39
ROCK1 Q13464 2/20 0.39
PRKACA P17612 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ROCK2 O75116 1/20 0.38
PDE5A O76074 2/20 0.37
PDE1A P54750 1/20 0.37

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
SCHEMBL3607234 0.80 HDAC3 (0.45) KMT2AMEN1L3MBTL1KDM4EMAPT
SCHEMBL8248036 0.78 POLB (0.51) KMT2AMEN1KDM4EROCK1PRKACA
SCHEMBL3600139 0.76 GSTO1 (0.52) KMT2AMEN1L3MBTL1KDM4EMAPT
SCHEMBL3614294 0.74 GSTO1 (0.50) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL5599931 0.74 PDE5A (0.53) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL3600706 0.74 PDE5A (0.43) KDM4EPDE5APDE1APDE1BPDE1C
SCHEMBL3609508 0.73 GSTO1 (0.47) MAPTGAAGSTO1ALDH1A1HTT
SCHEMBL3602419 0.73 PDE5A (0.46) PDE5APDE1APDE1BPDE1C
SCHEMBL3601049 0.72 GSTO1 (0.48) MAPTGAAGSTO1ALDH1A1HTT
SCHEMBL3602408 0.71 BLM (0.43) KMT2AMEN1L3MBTL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 MMP13 130/4885MMP2 35/4885KMT2A 3612/4885
US-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 MMP13 4599/4885MMP2 4711/4885KMT2A 4019/4885

“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.