SCHEMBL4175570

SCHEMBL4175570

O=c1c(Cl)c(Cl)cnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
PAX8 Q06710 3/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 3/20 0.64
S1PR4 O95977 2/20 0.64
S1PR1 P21453 2/20 0.64
MITF O75030 1/20 0.64
THRB P10828 1/20 0.64
XBP1 P17861 1/20 0.64
NPBWR1 P48145 6/20 0.61
KMT2A Q03164 2/20 0.60
MCHR1 Q99705 5/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
LMNA P02545 2/20 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
SCHEMBL13967303 0.85 NPBWR1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL11277555 0.84 NPBWR1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL4675674 0.84 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL3037242 0.82 NPC1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL4670658 0.82 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL4672474 0.82 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL9831465 0.81 RAB9A (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL10771272 0.81 ACHE (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL11735456 0.81 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8
SCHEMBL11732428 0.81 RAB9A (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2PAX8

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 20 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
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-08 US disclosed
WO-2008080056-A2 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2008-07-03 WO disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2007-02-08 US disclosed
EP-0210647-B1 PYRIDAZINONE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND INSECTICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-10-28 EP disclosed
US-4910201-A With an ether substituted in position 5 NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-20 US disclosed
EP-0210647-A2 Pyridazinone derivatives, process for preparation thereof and insecticidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-02-04 EP 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 (4 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 RAB9A 3655/4885NPC1 2857/4885ALDH1A1 761/4885
US-20070032496-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 RAB9A 2534/4885NPC1 996/4885ALDH1A1 1519/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885ALDH1A1 761/4885
US-20090012088-A1 Compounds for the Treatment of Neurodegeneration and Stroke PARP1, PARP12, PARP11 RAB9A 2534/4885NPC1 996/4885ALDH1A1 1519/4885

“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.