SCHEMBL498600

SCHEMBL498600

CCCCC[CH]c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
NR4A1 P22736 1/20 0.39
MAOA P21397 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
SCHEMBL8200114 0.98 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL8199056 0.98 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL8199934 0.98 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL2167960 0.98 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL2167102 0.98 CYP1A2 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL498505 0.94 NPC1 (0.50) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL96245 0.86 MEN1 (0.54) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL9466506 0.84 MEN1 (0.52) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL7529684 0.82 NPC1 (0.50) CYP1A2CYP2C19NPC1RAB9AMEN1
SCHEMBL28879045 0.82 NPC1 (0.50) CYP1A2CYP2C19NPC1RAB9AMEN1

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 149 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-2853587-B1 Method for isolating cells MERCK PATENT GMBH (DE) 2017-10-11 EP disclosed
US-9518068-B2 Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
EP-2714698-B1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2016-11-09 EP disclosed
US-9409925-B2 Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH (DE) 2016-08-09 US disclosed
US-5329010-A Unsaturated groups with heteroarylalkyl groups and carboxy derivatives EISAI CO., LTD. (JP) 1994-07-12 US disclosed
EP-0503426-A1 Quinone derivatives Eisai Co., Ltd. (JP) 1992-09-16 EP disclosed
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 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-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 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 (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 CYP1A2 2230/4885CYP2C19 2381/4885NPC1 2383/4885

“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.