SCHEMBL874457

SCHEMBL874457

O=C(O)Cc1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NAPRT Q6XQN6 2/20 0.48
HCAR2 Q8TDS4 1/20 0.48
IDO1 P14902 1/20 0.45
KMT2A Q03164 1/20 0.45
VNN1 O95497 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TSHR P16473 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRA4 P48169 2/20 0.39

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
SCHEMBL15572500 0.98 KDM4E (0.47) KDM4ENAPRTHCAR2IDO1KMT2A
Hydrochloric Acid SCHEMBL1373071 0.98 KDM4E (0.47) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL15571198 0.98 KDM4E (0.47) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL15572404 0.98 IDO1 (0.48) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL15571571 0.98 KDM4E (0.47) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL27567832 0.84 VNN1 (0.43) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL4086758 0.81 IDO1 (0.44) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL1483374 0.81 ADORA3 (0.50) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL30373798 0.81 ADORA3 (0.50) KDM4ENAPRTHCAR2IDO1KMT2A
SCHEMBL7299189 0.81 IDO1 (0.44) KDM4ENAPRTHCAR2IDO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021118485-A1 A PRODUCTION METHOD OF BIOACTIVE SUBSTANCE THYMOKINONE BY USING AY-YLDIZ CATALYST WHITH USE POTENTIAL IN CANCER TREATMENT CUKUROVA UNIVERSITESI REKTORLUGU (TR) 2021-06-17 WO claimed
CN-103443099-B Regulate composition and the method for FXR NOVARTIS AG (CH) 2016-03-23 CN claimed
CN-103443099-A Compositions and methods for modulating FXR IRM LLC 2013-12-11 CN claimed
CN-101312972-B Bicyclic cinnamide compound EISAI R&D MAN CO LTD 2012-06-20 CN claimed
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP claimed
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN claimed
CN-101312972-A Bicyclic cinnamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US claimed
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP claimed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP claimed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
EP-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
US-20250326726-A1 FERROPTOSIS INHIBITORS-PHENOXAZINE ACETAMIDES SIRONAX BEIJING CO LTD (CN) 2025-10-23 US disclosed
CN-119866332-A Iron death inhibitor-phenoxazine acetamides 维泰瑞隆(北京)生物科技有限公司 2025-04-22 CN disclosed
EP-0369743-A2 Heterocyclic amides ZENECA LIMITED (GB) 1990-05-23 EP disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US disclosed
US-3928347-A Pyrazinylmalonic acid esters and salts and pyrazinylacetic acids, esters and salts MCNEILAB INC 1975-12-23 US disclosed
US-3865826-A Certain derivatives of pyrazinylmalonates and pyrazineacetic acids MCNEILAB INC 1975-02-11 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-20250326726-A1 FERROPTOSIS INHIBITORS-PHENOXAZINE ACETAMIDES AIFM2, GPX4, FECH KDM4E 3427/4885NAPRT 1878/4885HCAR2 1193/4885

“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.