SCHEMBL4136494

SCHEMBL4136494

O=c1c(Cl)c(Cl)cnn1-c1cccc(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.75
RAB9A P51151 4/20 0.75
PAX8 Q06710 3/20 0.75
SMN1; SMN2 Q16637 4/20 0.73
HTT P42858 3/20 0.73
ALDH1A1 P00352 3/20 0.73
S1PR4 O95977 2/20 0.73
MAPT P10636 2/20 0.73
S1PR1 P21453 2/20 0.73
MITF O75030 1/20 0.73
THRB P10828 1/20 0.73
XBP1 P17861 1/20 0.73
NPBWR1 P48145 4/20 0.59
MCHR1 Q99705 3/20 0.59
KMT2A Q03164 2/20 0.59
PKM P14618 2/20 0.59
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54

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 SCHEMBL4129456 0.98 NPC1 (0.73) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL4672794 0.86 RAB9A (0.69) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL31277650 0.86 NPC1 (1.00) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL3031931 0.86 NPC1 (1.00) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL1461789 0.84 RAB9A (1.00) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL18467585 0.83 NPC1 (0.66) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL3041881 0.83 NPBWR1 (0.72) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL3037254 0.82 NPC1 (0.68) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL3037242 0.82 NPC1 (0.64) NPC1RAB9APAX8SMN1; SMN2HTT
SCHEMBL10332513 0.81 RAB9A (0.65) NPC1RAB9APAX8SMN1; SMN2HTT

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 26 patents — showing the first 20. 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-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 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-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 WO disclosed
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
WO-2007087424-A2 METHOD OF TREATING KCNQ RELATED DISORDERS USING ORGANOZINC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2007-08-02 WO disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
US-4002751-A SLEEP INDUCERS, CNS DEPRESSANTS SANDOZ, INC. (US) 1977-01-11 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA NPC1 2179/4885RAB9A 4688/4885PAX8 4882/4885
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP NPC1 2857/4885RAB9A 3655/4885PAX8 2327/4885
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO NPC1 599/4885RAB9A 4468/4885PAX8 4107/4885

“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.