SCHEMBL615467

SCHEMBL615467

Cc1nc2ccc(C)c([N+](=O)[O-])c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 5/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 3/20 0.45
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL28991131 0.85 MAPT (0.49) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL8688497 0.85 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL11785923 0.85 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL30076339 0.85 MAPT (0.49) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL2404277 0.84 MEN1 (0.51) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL3287167 0.75 CRHR1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL615692 0.75 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HTTMAPTTDP1
SCHEMBL10551923 0.75 MEN1 (0.62) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL15001036 0.74 RAB9A (0.57) ALDH1A1SMN1; SMN2HTTMAPTHPGD
SCHEMBL1608166 0.74 MAPT (0.45) ALDH1A1SMN1; SMN2HTTMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041207-A1 Compound STERIX LIMITED (GB) 2012-02-16 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-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
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (4 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 236/4885SMN1; SMN2 3762/4885HTT 4116/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885SMN1; SMN2 3761/4885HTT 3139/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 ALDH1A1 1319/4885SMN1; SMN2 3761/4885HTT 3139/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 ALDH1A1 553/4885SMN1; SMN2 3175/4885HTT 3836/4885

“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.