SCHEMBL626382

SCHEMBL626382

C=CCn1c(C)nc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
CFTR P13569 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.47
POLB P06746 2/20 0.46
PITRM1 Q5JRX3 1/20 0.46
APOBEC3G Q9HC16 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL622609 0.90 CFTR (0.50) MEN1KMT2ACFTRIRAK4POLB
SCHEMBL7261471 0.83 CYP1A2 (0.56) MEN1KMT2ACFTRPOLBPITRM1
SCHEMBL3964662 0.82 MEN1 (0.53) MEN1KMT2APOLBPITRM1MAPT
SCHEMBL623380 0.76 KDM4E (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL2481608 0.76 RAB9A (0.52) MEN1KMT2APOLBMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL29063683 0.75 RAB9A (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL29984952 0.74 MEN1 (0.46) MEN1KMT2APOLBPITRM1MAPT
SCHEMBL6231081 0.73 CFTR (0.47) MEN1KMT2ACFTRIRAK4APOBEC3G
SCHEMBL19911550 0.73 ALDH1A1 (0.44) MEN1KMT2ACFTRIRAK4APOBEC3G
SCHEMBL7035371 0.73 FGFR1 (0.52) MEN1KMT2ACFTRMAPTALDH1A1

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 MEN1 2589/4885KMT2A 2403/4885CFTR 4282/4885
US-20110009448-A1 Compound NR4A1, GPR6, PRMT6 MEN1 1034/4885KMT2A 758/4885CFTR 4194/4885
US-20120041207-A1 Compound NR4A1, GPR6, PRMT6 MEN1 1034/4885KMT2A 758/4885CFTR 4194/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 MEN1 1105/4885KMT2A 765/4885CFTR 4379/4885

“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.