SCHEMBL2108784

SCHEMBL2108784

N#Cc1ncccc1COc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 2/20 0.38
TLR8 Q9NR97 1/20 0.38
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8803746 0.84 KDM4E (0.51) CYP11B1KDM4EMAPTHPGDKMT2A
SCHEMBL8804838 0.79 NPC1 (0.48) CYP11B1KDM4EMAPTHPGDTLR8
SCHEMBL9076409 0.78 MAPT (0.49) CYP11B1MAPTPOLBTDP1TP53
SCHEMBL12086447 0.77 CYP11B1 (0.44) CYP11B1KDM4EMAPTHPGDHSD11B1
SCHEMBL929363 0.76 CYP11B1 (0.49) CYP11B1KDM4EMAPTHPGDHSD11B1
SCHEMBL363772 0.74
SCHEMBL2107335 0.74 DPP4 (0.45) KDM4EMAPTHPGDHSD11B1FABP4
SCHEMBL1007759 0.73 CYP11B1 (0.53) CYP11B1KDM4EMAPTHSD11B1POLB
SCHEMBL27046001 0.73 CYP11B1 (0.47) CYP11B1KDM4EHPGDHSD11B1KMT2A
SCHEMBL4061725 0.73 LMNA (0.44) CYP11B1KDM4EKMT2ANPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912986-B1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1912986-A1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I Brystol-Myers Squibb Company (US) 2008-04-23 EP disclosed
WO-2006135667-A1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed
US-20060281750-A1 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-14 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 (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-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD11B2 CYP11B1 22/4885KDM4E 4175/4885MAPT 3871/4885
US-20060281750-A1 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors HSD11B1, HSD17B1, HSD11B2 CYP11B1 20/4885KDM4E 4239/4885MAPT 3816/4885

“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.