SCHEMBL6961010

SCHEMBL6961010

O=[N+]([O-])c1cccc(CN2CCc3ccccc3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 3/20 0.54
MAPK1 P28482 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 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
Hydrochloric Acid SCHEMBL6961966 0.99 TAAR1 (0.56) TAAR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL10414142 0.89 MEN1 (0.67) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL6967401 0.87 ALDH1A1 (0.51) TAAR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4791675 0.85 SIGMAR1 (0.67)
SCHEMBL3158207 0.85 MEN1 (0.59) TAAR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL6296037 0.84 DRD4 (0.54) TAAR1ALDH1A1TDP1MAPK1MAPT
SCHEMBL6291722 0.84 GRIN2B (0.55) TAAR1KMT2AMEN1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL8186681 0.83 GRIN2B (0.54) TAAR1ALDH1A1TDP1MAPK1MAPT
SCHEMBL27362549 0.83 MEN1 (0.55) KMT2AMEN1KDM4EALDH1A1TDP1
Fumaric Acid SCHEMBL10415608 0.82 MEN1 (0.60) KMT2AMEN1KDM4EALDH1A1POLB

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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 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 (1 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-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TAAR1 486/4885KMT2A 4263/4885MEN1 2624/4885

“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.