SCHEMBL51697

SCHEMBL51697

Oc1cccc2c(O)nccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
KDM4E B2RXH2 6/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPKAPK2 P49137 1/20 0.45
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
APP P05067 1/20 0.44
THRB P10828 1/20 0.44
CASP1 P29466 1/20 0.44
SNCA P37840 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL29478202 1.00 IDO1 (0.46) IDO1KDM4ETSHRLMNAMAPT
SCHEMBL31399738 0.78 PLAU (0.54) KDM4ETSHRLMNAMAPTTP53
SCHEMBL31165762 0.78 KDM4E (0.43) IDO1KDM4ETSHRLMNAMAPT
SCHEMBL14250663 0.78 PLAU (0.54) KDM4ETSHRLMNAMAPTTP53
SCHEMBL12055258 0.78 KDM4E (0.44) IDO1KDM4ETSHRLMNAMAPT
SCHEMBL160843 0.78 CYP2A6 (0.54) KDM4ETSHRLMNAMAPTTP53
SCHEMBL5663372 0.78 MAPT (0.53) IDO1KDM4ETSHRLMNAMAPT
SCHEMBL1564280 0.78 CYP2A6 (0.50) IDO1KDM4ETSHRLMNAMAPT
SCHEMBL12055251 0.78 CYP1A2 (0.54) KDM4ETSHRLMNAMAPTTP53
SCHEMBL13537368 0.78 KDM4E (0.43) IDO1KDM4ETSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
WO-2024190663-A1 BIOMARKER AND USE THEREOF 株式会社明治 2024-09-19 WO claimed
US-10675351-B2 Nanostructured gels capable of controlled release of encapsulated agents THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2020-06-09 US claimed
CN-109793735-A Application of the PARP-1 inhibitor in preparation treatment iron overload disease medicament 浙江大学 2019-05-24 CN claimed
US-20190117663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER UNIV CASE WESTERN RESERVE (US) 2019-04-25 US claimed
EP-3412279-A1 NANOSTRUCTURED GELS CAPABLE OF CONTROLLED RELEASE OF ENCAPSULATED AGENTS The Brigham and Women's Hospital, Inc. (US) 2018-12-12 EP claimed
US-9974859-B2 Nanostructured gels capable of controlled release of entrapped agents THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-05-22 US claimed
WO-2018022494-A1 REPURPOSING CANCER DRUGS FOR TREATMENT OF MYCOBACTERIUM STC.UNM (US) 2018-02-01 WO claimed
WO-2017176756-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2017-10-12 WO claimed
US-9623008-B2 Targeting abnormal DNA repair in therapy-resistant breast and pancreatic cancers STC.UNM (US) 2017-04-18 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
US-5657064-A Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1997-08-12 US claimed
US-5589483-A Isoquinoline poly (ADP-ribose) polymerase inhibitors to treat skin diseases associated with cellular senescence GERON CORPORATION (US) 1996-12-31 US claimed
US-5587384-A Inhibitors of poly(ADP-ribose) synthetase and use thereof to treat NMDA neurotoxicity THE JOHNS HOPKINS UNIVERSITY (US) 1996-12-24 US claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673782-A2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
WO-1995020952-A1 INHIBITORS OF POLY(ADP-RIBOSE) SYNTHETASE AND USE THEREOF TO PREVENT NMDA NEUROTOXICITY THE JOHNS HOPKINS UNIVERSITY (US) 1995-08-10 WO 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-20190117663-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER PARP2, PARP1, PPP2CA IDO1 3308/4885KDM4E 1304/4885TSHR 4537/4885
US-10675351-B2 Nanostructured gels capable of controlled release of encapsulated agents MMP2, CEL, LIPA IDO1 3851/4885KDM4E 3867/4885TSHR 4504/4885

“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.