SCHEMBL1696607

SCHEMBL1696607

CCCc1cccc(C(=O)N(C)c2ccc3ccccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
HSD17B2 P37059 1/20 0.42
KAT6A Q92794 2/20 0.42
PDE10A Q9Y233 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL15676799 0.90 CYP1A2 (0.46) PLAUKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL1692026 0.86 KMT2A (0.44) PLAUKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL1696343 0.85 L3MBTL1 (0.55) PLAUKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL18719892 0.84 PLAU (0.42) PLAUKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL13951729 0.83 TP53 (0.46) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14039474 0.82 KMT2A (0.52) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10268293 0.82 MEN1 (0.53) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13951769 0.82 HSD17B2 (0.56) KMT2AL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1696876 0.82 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1696947 0.81 KMT2A (0.58) KMT2AMEN1HSD17B2ACHEPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 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-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PLAU 58/4885KMT2A 2123/4885MEN1 1384/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PLAU 58/4885KMT2A 2123/4885MEN1 1384/4885

“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.