SCHEMBL8901225

SCHEMBL8901225

NCCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.64
CHRNA4 P43681 2/20 0.64
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 2/20 0.52
LTA4H P09960 1/20 0.50
PTGS2 P35354 1/20 0.50
TSHR P16473 1/20 0.50
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3037290 0.98 CHRNB2 (0.62) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL5149377 0.95 CHRNB2 (0.62) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL4343371 0.94 CHRNB2 (0.61) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL7873589 0.92 CHRNB2 (0.66) CHRNB2CHRNA4HPGDLMNALTA4H
Hydrochloric Acid SCHEMBL5405414 0.90 CHRNB2 (0.64) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL14028449 0.88 CHRNB2 (0.69) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL15498199 0.88 CHRNB2 (0.73) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL11307294 0.87 CHRNB2 (0.64) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL16943480 0.85 CHRNB2 (0.66) CHRNB2CHRNA4HPGDMAPTLMNA
SCHEMBL3975841 0.85 CHRNB2 (0.66) CHRNB2CHRNA4HPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 EP disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
EP-2518063-A1 Pyridazinones and furan-containing compounds Sloan-Kettering Institute For Cancer Research (US) 2012-10-31 EP disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-07-03 WO disclosed
US-5663194-A SCHIZOPHRENIA WYETH 1997-09-02 US 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP CHRNB2 3411/4885CHRNA4 4210/4885HPGD 115/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP CHRNB2 3411/4885CHRNA4 4210/4885HPGD 115/4885

“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.