SCHEMBL17757281

SCHEMBL17757281

Clc1cccc(CNC2=Nc3ccccc3NC23CCNCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACAT2 Q9BWD1 2/20 0.53
MAOB P27338 2/20 0.41
HTR6 P50406 2/20 0.41
CCNT1 O60563 2/20 0.38
KMT2A Q03164 1/20 0.36
APP P05067 2/20 0.36
CDK9 P50750 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GRM4 Q14833 1/20 0.35
C3AR1 Q16581 1/20 0.35
PDE5A O76074 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
TMIGD3 P0DMS9 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL29823199 1.00 ACAT2 (0.53) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757491 0.96 ACAT2 (0.49) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757484 0.95 ACAT2 (0.48) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757532 0.94 ACAT2 (0.46) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757517 0.94 ACAT2 (0.48) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757475 0.93 ACAT2 (0.43) ACAT2MAOBHTR6KMT2AAPP
SCHEMBL17757776 0.92 ACAT2 (0.48) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757321 0.91 ACAT2 (0.47) ACAT2MAOBHTR6CCNT1KMT2A
SCHEMBL17757440 0.91 ACAT2 (0.42) ACAT2MAOBHTR6KMT2AAPP
SCHEMBL17757449 0.91 ACAT2 (0.42) ACAT2MAOBHTR6KMT2AAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 WO disclosed
US-20230226185-A1 METHODS AND COMPOSITIONS FOR INDUCING FERROPTOSIS IN VIVO Kojin Therapeutics, Inc. 2023-07-20 US disclosed
US-20230226185-A1 METHODS AND COMPOSITIONS FOR INDUCING FERROPTOSIS IN VIVO Kojin Therapeutics, Inc. 2023-07-20 US disclosed
WO-2023133053-A2 METHODS AND COMPOSITIONS FOR INDUCING FERROPTOSIS IN VIVO Kojin Therapeutics, Inc. (US) 2023-07-13 WO disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 EP disclosed
US-20230021442-A1 PHENOTHIAZINE FERROPTOSIS INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CHENGDU HENGHAO INNOVATIVE SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-01-26 US disclosed
US-11541116-B1 Methods and compositions for inducing ferroptosis in vivo Kojin Therapeutics, Inc. (US) 2023-01-03 US disclosed
CN-114848619-A Application of seratrodast in preparation of medicines for preventing and treating iron death related diseases 广州医科大学 2022-08-05 CN disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 US disclosed
US-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof Chengdu Henghao Investment Co. Limited (CN) 2021-02-11 US disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US disclosed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 US disclosed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 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 (9 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-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof AIFM2, FECH, GPX4 ACAT2 1128/4885MAOB 404/4885HTR6 2735/4885
US-20230021442-A1 PHENOTHIAZINE FERROPTOSIS INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF AIFM2, SLC39A11, SLC7A11 ACAT2 3675/4885MAOB 2254/4885HTR6 2914/4885
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885MAOB 2633/4885HTR6 1352/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885MAOB 2833/4885HTR6 1384/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885MAOB 2832/4885HTR6 1381/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885MAOB 2833/4885HTR6 1384/4885
US-20230226185-A1 METHODS AND COMPOSITIONS FOR INDUCING FERROPTOSIS IN VIVO AIFM2, GPX4, SLC40A1 ACAT2 1342/4885MAOB 3437/4885HTR6 4496/4885
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 ACAT2 413/4885MAOB 916/4885HTR6 2485/4885
US-11541116-B1 Methods and compositions for inducing ferroptosis in vivo AIFM2, GPX4, SLC40A1 ACAT2 1342/4885MAOB 3437/4885HTR6 4496/4885

“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.