SCHEMBL6507007

SCHEMBL6507007

Cc1nc2c(Cl)c(N)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL3265280 0.81 HTT (0.47) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL3421747 0.81 HTT (0.52) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL6142607 0.81 RPS6KA3 (0.60) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL6508965 0.78 PARP1 (0.42) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL1285968 0.78 ADRB2 (0.55) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL24463132 0.78 CSNK2A1 (0.46) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL7032565 0.78 PARP1 (0.42) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL13594653 0.77 ADRB2 (0.52) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL12018402 0.75 HTT (0.42) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL1286019 0.75 TSHR (0.43) ALDH1A1GAAHTTPARP1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-20110009448-A1 Compound STERIX LIMITED 2011-01-13 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 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 (3 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-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 ALDH1A1 236/4885KDM4E 2033/4885MEN1 2589/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885KDM4E 565/4885MEN1 1034/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885KDM4E 565/4885MEN1 1034/4885

“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.