SCHEMBL4476236

SCHEMBL4476236

[CH]=Cc1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
LMNA P02545 6/20 0.57
KDM4E B2RXH2 6/20 0.57
PKM P14618 2/20 0.57
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ECE2 P0DPD6 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL28443608 0.81 RAB9A (0.80) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL524926 0.81 RAB9A (0.61) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL8414907 0.77 NPC1 (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL3810519 0.77 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL4060701 0.77 NPC1 (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL267838 0.77 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL4068608 0.77 NPC1 (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL108424 0.77 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL1163115 0.77 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL1163637 0.77 NPC1 (0.62) NPC1RAB9ALMNAKDM4EPKM

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351940-B1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INST RECH DEVELOPPEMENT IRD (FR) 2007-07-25 EP claimed
CN-1144786-C Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors 2004-04-07 CN claimed
EP-1351940-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS Institut de Recherche pour le Développement ( IRD) (FR) 2003-10-15 EP claimed
WO-2002057238-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (IRD) (FR) 2002-07-25 WO claimed
CN-1320118-A Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors AMERICAN CYANAMID CO (US) 2001-10-31 CN claimed
US-4322487-A Composite electrically photosensitive particles for electrophoretic migration imaging process EASTMAN KODAK COMPANY (US) 1982-03-30 US claimed
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
EP-1856079-A4 SPIRO-HETEROCYCLIC CHROMANS, THIOCHROMANS AND DIHYDROQUINOLINES GALILEO PHARMACEUTICALS INC (US) 2008-12-31 EP disclosed
US-20080207588-A1 Spiro-Heterocyclic Chromans, Thiochromans and Dihydroquinolines CHU DANIEL T W 2008-08-28 US disclosed
CN-101163687-A Spiro-heterocyclic chromans, thiochromans and dihydroquinolines GALILEO PHARMACEUTICALS INC (US) 2008-04-16 CN disclosed
CN-101128423-A Novel lipoxygenase inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed
CN-101115734-A Spiro derivatives as lipoxygenase inhibitors LILLY CO ELI (US) 2008-01-30 CN disclosed
EP-1856040-A2 NOVEL LIPOXYGENASE INHIBITORS Eli Lilly and Company (US) 2007-11-21 EP disclosed
WO-1996002506-A1 QUINOLINE DERIVATIVES AS LEUKOTRIENE ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-02-01 WO disclosed
US-5457225-A Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES LTD. (JP) 1995-10-10 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0641762-A1 Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
US-4322487-A Composite electrically photosensitive particles for electrophoretic migration imaging process EASTMAN KODAK COMPANY (US) 1982-03-30 US disclosed
EP-0024169-A2 Electrically photosensitive particles for electrophoretic migration imaging processes, dispersions of these particles, and processes using such dispersions EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1981-02-25 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 (1 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-20080207588-A1 Spiro-Heterocyclic Chromans, Thiochromans and Dihydroquinolines CBR3, CBR1, DHRS9 NPC1 2133/4885RAB9A 611/4885LMNA 4323/4885

“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.