SCHEMBL6501378

SCHEMBL6501378

CCc1ccc(C(C=O)c2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP17A1 P05093 3/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AURKA O14965 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL27037085 0.89 MAPK1 (0.48) RAB9AL3MBTL1TSHRMAPK1ATM
SCHEMBL6500197 0.86 HTT (0.43) L3MBTL1KMT2ATSHRALDH1A1LMNA
SCHEMBL6502832 0.83 SMN1; SMN2 (0.46) RAB9AKMT2ATSHRALDH1A1NPC1
SCHEMBL6501433 0.82 SLC6A2 (0.40) L3MBTL1CYP17A1ALDH1A1TP53LMNA
SCHEMBL6498870 0.82 ALDH1A1 (0.49) RAB9AL3MBTL1KMT2AALDH1A1TP53
SCHEMBL6504970 0.79 CYP19A1 (0.39) RAB9AL3MBTL1KMT2ANPC1LMNA
SCHEMBL29173275 0.77 L3MBTL1 (0.45) RAB9AL3MBTL1KMT2ATSHRMAPK1
SCHEMBL8309987 0.76 LMNA (0.42) RAB9AL3MBTL1KMT2ATDP1CYP17A1
SCHEMBL2789136 0.76 LTA4H (0.42) RAB9AKMT2A
SCHEMBL5184111 0.76 CYP19A1 (0.61) KMT2AMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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 (1 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 RAB9A 958/4885L3MBTL1 4484/4885KMT2A 4107/4885

“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.