SCHEMBL498505

SCHEMBL498505

CCCC[CH]c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
NR4A1 P22736 1/20 0.40
MAOA P21397 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TOP2A P11388 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL498600 0.94 CYP1A2 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2167960 0.93 CYP1A2 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8200114 0.93 CYP1A2 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2167102 0.93 CYP1A2 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8199934 0.93 CYP1A2 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8199056 0.93 CYP1A2 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL96245 0.88 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6863164 0.83 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6863156 0.83 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL270008 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253194-B2 Compounds and inhibitors of phospholipases THE UNIVERSITY OF QUEENSLAND (AU) 2007-08-07 US claimed
EP-1309552-A4 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES UNIV QUEENSLAND (AU) 2005-07-20 EP claimed
US-20040033995-A1 Compounds and inhibitors of phospholipases QUEENSLAND, THE UNIVERSITY OF (AU) 2004-02-19 US claimed
JP-2004503604-A 2004-02-05 JP claimed
EP-1309552-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2003-05-14 EP claimed
WO-2002008189-A1 COMPOUNDS AND INHIBITORS OF PHOSPHOLIPASES THE UNIVERSITY OF QUEENSLAND (AU) 2002-01-31 WO claimed
EP-0503426-B1 Quinone derivatives EISAI CO LTD (JP) 1996-12-27 EP claimed
US-5329010-A Unsaturated groups with heteroarylalkyl groups and carboxy derivatives EISAI CO., LTD. (JP) 1994-07-12 US claimed
EP-0503426-A1 Quinone derivatives Eisai Co., Ltd. (JP) 1992-09-16 EP claimed
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
EP-3337799-A1 METHOD FOR THE PREPARATION OF THE METABOLITES OF (4S)- AND (4R)-4-(4-CYANO-2-METHOXYPHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXAMIDE AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2018-06-27 EP disclosed
EP-2853587-B1 Method for isolating cells MERCK PATENT GMBH (DE) 2017-10-11 EP disclosed
EP-2714698-B1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2016-11-09 EP disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
US-4797490-A Process for the preparation of 3-(2'-fluorophenyl)pyridine PFIZER INC. (US) 1989-01-10 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 EP disclosed
US-4636506-A BACTERICIDES, STAPHYLOCOCCUS PFIZER, INC. (US) 1987-01-13 US disclosed
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 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-20040033995-A1 Compounds and inhibitors of phospholipases PLA2G4C, PLA2G4B, PLA2G4A NPC1 2383/4885RAB9A 1543/4885MEN1 3515/4885

“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.