SCHEMBL13219476

SCHEMBL13219476

NCCCOc1cccc(-n2ncc(Br)c(Br)c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
HTT P42858 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
PAX8 Q06710 2/20 0.55
XBP1 P17861 3/20 0.46
MAPK14 Q16539 6/20 0.43
GAA P10253 1/20 0.40
NPBWR1 P48145 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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 SCHEMBL3037752 0.99 NPC1 (0.53) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL13562608 0.88 MAPK14 (0.41) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL3032744 0.85 ALDH1A1 (0.55) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL3043247 0.82 ALDH1A1 (0.51) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL18467669 0.80 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL3028836 0.79 ALDH1A1 (0.63) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL3038962 0.78 SMN1; SMN2 (0.46) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL13219709 0.77 CA1 (0.46) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL4191587 0.74 NPC1 (0.69) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL3032746 0.74 ALDH1A1 (0.56) NPC1RAB9AALDH1A1MAPTHTT

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 10 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

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 NPC1 2857/4885RAB9A 3655/4885ALDH1A1 761/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP NPC1 2857/4885RAB9A 3655/4885ALDH1A1 761/4885

“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.