SCHEMBL2991650

SCHEMBL2991650

Cc1cccc2c1N(S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.56
NPBWR1 P48145 1/20 0.55
MCHR1 Q99705 1/20 0.55
KMT2A Q03164 7/20 0.53
MCOLN3 Q8TDD5 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MEN1 O00255 6/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 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
SCHEMBL5467029 0.85 VCAM1 (0.56) VCAM1NPBWR1MCHR1KMT2AMCOLN3
SCHEMBL2996937 0.84 KMT2A (0.47) KMT2AMEN1ATMALDH1A1MAPT
SCHEMBL2999492 0.83 VCAM1 (0.52) VCAM1NPBWR1MCHR1KMT2AMCOLN3
SCHEMBL2985916 0.83 KMT2A (0.71) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL5461806 0.80 TP53 (0.56) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL2998796 0.80 KMT2A (0.67) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL5461695 0.79 KMT2A (0.66) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL2994962 0.78 KMT2A (0.42) KMT2AMEN1ATMALDH1A1MAPT
SCHEMBL5466708 0.76 VCAM1 (0.56) VCAM1NPBWR1MCHR1KMT2AMEN1
SCHEMBL5473761 0.76 KMT2A (0.70) VCAM1NPBWR1MCHR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 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 (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-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR VCAM1 4437/4885NPBWR1 50/4885MCHR1 49/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR VCAM1 4437/4885NPBWR1 50/4885MCHR1 49/4885

“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.