SCHEMBL526457

SCHEMBL526457

Cc1cc(CO)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
BACE1 P56817 1/20 0.55
ALDH1A1 P00352 2/20 0.50
NPFFR1 Q9GZQ6 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50
PDE10A Q9Y233 3/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.46
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ACHE P22303 1/20 0.45
KMT2A Q03164 1/20 0.44

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
Iodide SCHEMBL29490766 0.84 CYP1A2 (0.53) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL4278249 0.84 KDM4E (0.49) CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3969032 0.83 CYP1A2 (0.60) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL4848307 0.81 CYP1A2 (0.58) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL3396050 0.81 CYP1A2 (0.58) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL28589683 0.81 CYP1A2 (0.58) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL13777688 0.80 KDM4E (0.62) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL7967311 0.79 CYP1A2 (0.55) CYP1A2BACE1ALDH1A1NPFFR1NPFFR2
SCHEMBL15046538 0.79 CYP1A2 (0.55) CYP1A2BACE1ALDH1A1PDE10AKDM4E
SCHEMBL21848526 0.79 PDE10A (0.57) CYP1A2BACE1ALDH1A1PDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0939793-B1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY TECHNOLOGY CORP INC (US) 2001-10-10 EP claimed
US-5955483-A HALOPROPARGYL AND CHELATE COMPOUND WITH TRANSITION METAL DRIER TROY TECHNOLOGY CORPORATION (US) 1999-09-21 US claimed
EP-0939793-A1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY CORPORATION (US) 1999-09-08 EP claimed
US-5916930-A Stabilization of biocidal activity in air drying alkyds TROY CORPORATION (US) 1999-06-29 US claimed
WO-1998022543-A1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY CORPORATION (US) 1998-05-28 WO claimed
US-9585384-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2017-03-07 US disclosed
US-9326502-B2 Stabilization of compounds containing iodine having polymers comprising nitrogen LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-9328065-B2 Nitrogen-containing inorganic carrier materials LANXESS DEUTSCHLAND GMBH (DE) 2016-05-03 US disclosed
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2015-03-26 US disclosed
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE LANXESS DEUTSCHLAND GMBH (DE) 2015-03-19 US disclosed
US-8921451-B2 Stabilization of compounds comprising iodine LANXESS DEUTSCHLAND GMBH (DE) 2014-12-30 US disclosed
US-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2014-10-09 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO disclosed
EP-0939793-B1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY TECHNOLOGY CORP INC (US) 2001-10-10 EP disclosed
US-5955483-A HALOPROPARGYL AND CHELATE COMPOUND WITH TRANSITION METAL DRIER TROY TECHNOLOGY CORPORATION (US) 1999-09-21 US disclosed
EP-0939793-A1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY CORPORATION (US) 1999-09-08 EP disclosed
US-5916930-A Stabilization of biocidal activity in air drying alkyds TROY CORPORATION (US) 1999-06-29 US disclosed
WO-1998022543-A1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY CORPORATION (US) 1998-05-28 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 (4 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-20140303277-A1 STABILIZATION OF COMPOUNDS CONTAINING IODINE HAVING POLYMERS COMPRISING NITROGEN NISCH, INMT, TPO CYP1A2 3844/4885BACE1 4761/4885ALDH1A1 4286/4885
US-20150087700-A1 NITROGEN-CONTAINING INORGANIC CARRIER MATERIALS SLCO4C1, SLCO2B1, SLCO2A1 CYP1A2 4475/4885BACE1 4866/4885ALDH1A1 3968/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 CYP1A2 1520/4885BACE1 4740/4885ALDH1A1 827/4885
US-20150080491-A1 STABILIZATION OF COMPOUNDS COMPRISING IODINE TPO, AZI2, NISCH CYP1A2 2365/4885BACE1 3910/4885ALDH1A1 1859/4885

“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.