SCHEMBL4483673

SCHEMBL4483673

Cc1sc(C=Cc2ccccc2)nc1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 6/20 0.40
KDM4E B2RXH2 5/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 5/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 5/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
GRM4 Q14833 4/20 0.37
MEN1 O00255 3/20 0.37
CYP2C19 P33261 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL4483670 1.00 RAB9A (0.40) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL6584167 0.82 RAB9A (0.41) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL6584170 0.82 RAB9A (0.41) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL4484512 0.81 NPC1 (0.44) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL4484508 0.81 NPC1 (0.44) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL4492958 0.80 ALDH1A1 (0.38) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL1436076 0.72 RARA (0.50) ALDH1A1SMN1; SMN2MAPTGAAALOX5
SCHEMBL4491644 0.72 RAB9A (0.43) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL9514452 0.70 LCK (0.45) RAB9AALDH1A1NPC1KDM4EPOLB
SCHEMBL9514456 0.70 LCK (0.45) RAB9AALDH1A1NPC1KDM4EPOLB

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-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R RAB9A 2622/4885ALDH1A1 1837/4885NPC1 386/4885

“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.