SCHEMBL617539

SCHEMBL617539

COCCSc1nc2ccc(N)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.63
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
LMNA P02545 2/20 0.63
KEAP1 Q14145 1/20 0.60
HPGD P15428 1/20 0.57
SHMT2 P34897 1/20 0.57
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL13762143 0.81 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL617400 0.81 KEAP1 (0.69) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10756678 0.81 MAPT (0.78) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL303693 0.81 KEAP1 (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10644760 0.77 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL20357500 0.77 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL304698 0.76 KEAP1 (1.00) MAPTALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9097278 0.76 KEAP1 (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10356556 0.76 MAPT (0.63) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL865987 0.75 KEAP1 (0.74) MAPTALDH1A1MEN1KMT2ALMNA

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 MAPT 4759/4885ALDH1A1 236/4885MEN1 2589/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 MAPT 4794/4885ALDH1A1 1319/4885MEN1 1034/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 MAPT 4794/4885ALDH1A1 1319/4885MEN1 1034/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 MAPT 4691/4885ALDH1A1 553/4885MEN1 1105/4885

“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.