SCHEMBL2322004

SCHEMBL2322004

Clc1ccc(-c2ccccn2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
MAPT P10636 3/20 0.69
ALDH1A1 P00352 2/20 0.69
RAB9A P51151 2/20 0.69
PKM P14618 1/20 0.69
GRM5 P41594 1/20 0.63
DCTPP1 Q9H773 1/20 0.53
CCR1 P32246 2/20 0.53
CCR5 P51681 2/20 0.53
CCR8 P51685 2/20 0.53
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
SMN1; SMN2 Q16637 3/20 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
SCHEMBL7576751 0.85 CCR1 (0.53) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL18385896 0.84 NPC1 (0.57) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL31558882 0.84 KDM4E (0.56) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL5328289 0.83 CCR1 (0.52) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL28397183 0.82 NPC1 (0.54) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL25299620 0.81 CCR1 (0.55) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL10330894 0.81 ALDH1A1 (0.50) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL12256849 0.81 NPC1 (0.50) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL4337894 0.81 NPC1 (0.50) NPC1MAPTALDH1A1RAB9APKM
SCHEMBL13549952 0.81 NPC1 (0.50) NPC1MAPTALDH1A1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353195-B9 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FED DE LAUSANNE EPFL EPFL TTO (CH) 2019-02-06 EP disclosed
EP-2353195-B1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FED DE LAUSANNE EPFL EPFL TTO (CH) 2018-10-10 EP disclosed
US-8962977-B2 Photoelectric conversion devices comprising novel ligands and sensitizers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2015-02-24 US disclosed
EP-2036955-B1 DYESTUFF, DYE-SENSITIZED SOLAR CELL, AND METHOD FOR MANUFACTURING SAME JSR CORP (JP) 2012-05-16 EP disclosed
US-20110303267-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-12-15 US disclosed
US-20110215276-A1 Phosphorescent light-emitting material SOLVAY SA (BE) 2011-09-08 US disclosed
US-20110215276-A1 Phosphorescent light-emitting material SOLVAY SA (BE) 2011-09-08 US disclosed
US-20110215276-A1 Phosphorescent light-emitting material SOLVAY SA (BE) 2011-09-08 US disclosed
EP-2356127-A1 PHOSPHORESCENT LIGHT-EMITTING MATERIAL Solvay SA (BE) 2011-08-17 EP disclosed
EP-2353195-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2011-08-10 EP disclosed
WO-2010055470-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2010-05-20 WO disclosed
WO-2010055040-A1 PHOSPHORESCENT LIGHT-EMITTING MATERIAL SOLVAY SA (BE) 2010-05-20 WO disclosed
WO-2010055040-A1 PHOSPHORESCENT LIGHT-EMITTING MATERIAL SOLVAY SA (BE) 2010-05-20 WO disclosed
EP-2036955-A1 Dyestuff, dye-sensitized solar cell, and method for manufacturing same JSR Corporation (JP) 2009-03-18 EP 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-20110303267-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS CRY1, NECTIN4, PYCR1 NPC1 4878/4885MAPT 1464/4885ALDH1A1 1189/4885
US-20110215276-A1 Phosphorescent light-emitting material MAP1LC3C, BRPF1, NR2E3 NPC1 3622/4885MAPT 1014/4885ALDH1A1 2224/4885

“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.