SCHEMBL2360000

SCHEMBL2360000

Cc1ccc(Cc2cc(-c3nc(-c4ccc(OC(F)(F)F)cc4)co3)nn2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
TP53 P04637 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
GCGR P47871 2/20 0.36
THRB P10828 1/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY5R Q15761 1/20 0.35
SCN5A Q14524 2/20 0.35
TDP2 O95551 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
SCHEMBL16501594 0.84 SCN10A (0.45) S1PR1TP53SCN10AGCGRMAPT
SCHEMBL3086797 0.81 HDAC3 (0.44) S1PR1S1PR3TP53SCN10AGCGR
SCHEMBL2361194 0.72 SCN9A (0.38) CYP11B1CYP11B2GCGRMAPT
SCHEMBL2424704 0.70 MAPT (0.45) GCGRBRD4MAPTKDM4EGAA
SCHEMBL21377196 0.70 MAPT (0.48) SCN10ACYP11B1CYP11B2GCGRBRD4
SCHEMBL508983 0.70 MAPT (0.45) GCGRBRD4MAPTKDM4EGAA
SCHEMBL2422616 0.70 MAPT (0.45) GCGRBRD4MAPTKDM4EGAA
SCHEMBL508428 0.70 MAPT (0.45) GCGRMAPTKDM4EGAAMAPK1
SCHEMBL13363440 0.70 NPC1 (0.46) S1PR1TP53SCN10ABRD4MAPT
SCHEMBL5549267 0.69 MAPT (0.44) GCGRBRD4MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
US-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-08 US disclosed
EP-2356112-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054764-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO 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-20110301122-A1 HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS HIF1AN, HIF1A, VHL S1PR1 3825/4885S1PR3 4009/4885TP53 151/4885

“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.