SCHEMBL2998796

SCHEMBL2998796

O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCc3ccccc32)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.67
VCAM1 P19320 2/20 0.62
MEN1 O00255 7/20 0.61
NPBWR1 P48145 1/20 0.60
MCHR1 Q99705 1/20 0.60
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.53
AKR1C3 P42330 1/20 0.51

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
SCHEMBL5461695 0.99 KMT2A (0.66) KMT2AVCAM1MEN1NPBWR1MCHR1
SCHEMBL2985916 0.97 KMT2A (0.71) KMT2AVCAM1MEN1NPBWR1MCHR1
SCHEMBL5473761 0.92 KMT2A (0.70) KMT2AVCAM1MEN1NPBWR1MCHR1
SCHEMBL3004696 0.86 KMT2A (0.70) KMT2AMEN1ALDH1A1L3MBTL1ATM
SCHEMBL5471871 0.83 KMT2A (0.57) KMT2AVCAM1MEN1NPBWR1MCHR1
SCHEMBL5471656 0.83 KMT2A (0.74) KMT2AMEN1ALDH1A1LMNAATM
SCHEMBL2985822 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL2996113 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL5466708 0.82 VCAM1 (0.56) KMT2AVCAM1MEN1NPBWR1MCHR1
SCHEMBL3001642 0.82 NPBWR1 (0.58) KMT2AVCAM1MEN1NPBWR1MCHR1

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 7 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
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 KMT2A 1132/4885VCAM1 4392/4885MEN1 1223/4885
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885VCAM1 4437/4885MEN1 592/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885VCAM1 4437/4885MEN1 592/4885

“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.