SCHEMBL4860368

SCHEMBL4860368

CCc1ccc(Cc2c(O)nn(-c3ccc(C)cc3)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
AR P10275 3/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
PRNP P04156 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL23400167 0.85 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1POLBTP53
SCHEMBL23402509 0.79 KMT2A (0.44) RAB9ANPC1ALDH1A1POLBTP53
SCHEMBL13495147 0.79 NPC1 (0.67) RAB9ANPC1ARALDH1A1POLB
SCHEMBL23399686 0.78 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1POLBTP53
SCHEMBL4854547 0.78 RAB9A (0.40) RAB9ANPC1ARALDH1A1POLB
SCHEMBL23400880 0.75 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1POLBTP53
SCHEMBL23399010 0.74 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4857102 0.74 SLC5A1 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL23398490 0.74 CDK8 (0.41) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL23398708 0.72 NPC1 (0.54) RAB9ANPC1ALDH1A1POLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1609799-A1 HETEROARYL 5-THIO-BETA-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-12-28 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-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same SLC5A2, SLC5A1, UGGT1 RAB9A 1882/4885NPC1 450/4885AR 3255/4885

“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.