SCHEMBL554567

SCHEMBL554567

O=c1n[c][nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 2/20 0.39
PARP1 P09874 5/20 0.38
CYP1A2 P05177 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GPR3 P46089 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
MEN1 O00255 1/20 0.38
TNKS O95271 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 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
SCHEMBL11010626 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL208833 0.73 DAO (0.46) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL208837 0.73 DAO (0.46) ALDH1A1KDM4ELMNAHPGDGLA
SCHEMBL208230 0.73 LMNA (0.42) ALDH1A1KDM4ELMNAHPGDGAA
SCHEMBL207151 0.73 METAP2 (0.46) LMNAHPGDCHEK1
SCHEMBL208047 0.73 FLT3 (0.46) ALDH1A1LMNAHPGDHSD17B10MAPT
SCHEMBL14974362 0.72 KDM4E (0.47) ALDH1A1KDM4ELMNAHPGDGLA
SCHEMBL9384243 0.71 PARP1 (0.44) ALDH1A1PARP1MEN1KMT2AMAPT
SCHEMBL210679 0.70 TYMS (0.37)
SCHEMBL207339 0.70 LOXL2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160517-B1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE LYON (FR) 2024-06-12 EP claimed
EP-3555112-B1 FLUOROGENIC GLYCOSIDASE SUBSTRATE AND ASSOCIATED DETECTION METHOD ECOLE NORMALE SUPERIEURE LYON (FR) 2023-12-06 EP claimed
US-20230158028-A1 COMPOUNDS AND METHODS FOR INDUCING UCP1 EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-25 US claimed
EP-4132914-A1 COMPOUNDS AND METHODS FOR INDUCING UCP1 EXPRESSION The Regents of the University of California (US) 2023-02-15 EP claimed
EP-3555112-A1 FLUOROGENIC GLYCOSIDASE SUBSTRATE AND ASSOCIATED DETECTION METHOD Ecole Normale Superieure De Lyon (FR) 2019-10-23 EP claimed
US-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US claimed
EP-2760844-B1 FLUOROGENIC PEPTIDASE SUBSTRATE ECOLE NORMALE SUPERIEURE LYON (FR) 2018-11-21 EP claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP claimed
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP claimed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP claimed
EP-0137177-B1 CHROMOGENE AND FLUOROGENE CARBOXYLIC-ACID ESTERS, METHOD FOR THEIR PREPARATION AND AGENTS FOR THE DETECTION AND DETERMINATION OF HYDROLASES BAYER AG (DE) 1987-10-28 EP claimed
EP-0224687-A1 Metal complex pigments BAYER AG (DE) 1987-06-10 EP claimed
EP-0223162-A2 Glycosides, process for their preparation, and process and a means for the detection and photometric and fluorometric determination of sugar-cleaving enzymes (glycosidases) BAYER AG (DE) 1987-05-27 EP claimed
US-4659657-A Chromogenic and fluorogenic esters for photometric or fluorimetric determination of phosphatases or sulphatases BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US claimed
EP-0056157-B1 USE OF 7-HYDROXY-COUMARIN COMPOUNDS FOR IMPREGNATING PAPER BAYER AG (DE) 1985-05-29 EP claimed
EP-0137177-A1 Chromogene and fluorogene carboxylic-acid esters, method for their preparation and agents for the detection and determination of hydrolases BAYER AG (DE) 1985-04-17 EP claimed
US-4411946-A FORGERY-PROOF PAPER BAYER AKTIENGESELLSCHAFT (DE) 1983-10-25 US claimed
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 EP claimed
EP-0056157-A1 Use of 7-hydroxy-coumarin compounds for impregnating paper BAYER AG (DE) 1982-07-21 EP claimed
US-4329347-A Cardiotonic and antithrombotic sulfur-containing derivatives of carbostyril BOEHRINGER INGELHEIM GMBH (DE) 1982-05-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods SI, GUSB, ABCG2 ALDH1A1 426/4885KDM4E 4802/4885LMNA 398/4885
US-20230158028-A1 COMPOUNDS AND METHODS FOR INDUCING UCP1 EXPRESSION TFAM, FABP4, CPT2 ALDH1A1 1604/4885KDM4E 3552/4885LMNA 688/4885

“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.