SCHEMBL6058477

SCHEMBL6058477

CCc1cnc2ccc(C)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 3/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
PKM P14618 1/20 0.39
PARP1 P09874 1/20 0.39
PDE10A Q9Y233 5/20 0.39
NQO2 P16083 1/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 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
SCHEMBL16541640 0.86 NPC1 (0.49) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL14084759 0.85 CYP1A2 (0.53) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL21622433 0.85 PDE10A (0.50) ALDH1A1CYP1A2NCK1BACE1PARP1
SCHEMBL9814928 0.80 FAAH (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9334190 0.80 PDE10A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18562139 0.80 CYP1A2 (0.40) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL4572536 0.80 CYP1A2 (0.65) ALDH1A1CYP1A2KDM4ENCK1BACE1
SCHEMBL9814937 0.77 PDGFRB (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL18561916 0.77 PDE10A (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2PARP1
SCHEMBL14084762 0.77 NPC1 (0.41) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089975-B1 IMPROVED METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM FINE CHEM AUSTRIA GMBH (AT) 2004-04-28 EP claimed
EP-1089975-A1 IMPROVED METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2001-04-11 EP claimed
WO-1999067217-A2 METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM FINE CHEMICALS AUSTRIA GMBH (AT) 1999-12-29 WO claimed
WO-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 WO disclosed
EP-2861601-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2018-02-07 EP disclosed
US-8470829-B2 Imidazolidine derivative and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-06-25 US disclosed
US-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
US-7384552-B2 Proton-conducting membrane and the use thereof BASF FUEL CELL GMBH (DE) 2008-06-10 US disclosed
US-7235320-B2 Proton-conducting membrane and use thereof PEMEAS GMBH (DE) 2007-06-26 US disclosed
EP-1366008-B1 METHOD FOR PRODUCING MONOCARBONYL COMPOUNDS OR BISCARBONYL COMPOUNDS OR HYDROXYL COMPOUNDS DSM FINE CHEM AUSTRIA GMBH (AT) 2006-11-22 EP disclosed
EP-1089975-B1 IMPROVED METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM FINE CHEM AUSTRIA GMBH (AT) 2004-04-28 EP disclosed
EP-1366008-A2 METHOD FOR PRODUCING MONOCARBONYL COMPOUNDS OR BISCARBONYL COMPOUNDS OR HYDROXYL COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-12-03 EP disclosed
WO-2002072518-A2 METHOD FOR PRODUCING MONOCARBONYL COMPOUNDS OR BISCARBONYL COMPOUNDS OR HYDROXYL COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-09-19 WO disclosed
EP-1089975-A1 IMPROVED METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2001-04-11 EP disclosed
WO-1999067217-A2 METHOD FOR PRODUCING SUBSTITUTED PYRIDINE-CARBOXYLIC ACIDS DSM FINE CHEMICALS AUSTRIA GMBH (AT) 1999-12-29 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 (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-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CBR1, NR0B1, CNKSR1 ALDH1A1 989/4885CYP1A2 1005/4885NPC1 2435/4885

“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.