SCHEMBL17757304

SCHEMBL17757304

Clc1ccccc1CNC1=Nc2ccccc2NC12CCNCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 4/20 0.50
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAP4K4 O95819 1/20 0.33

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
SCHEMBL17757176 0.93 ACAT2 (0.47) ACAT2GAATSHRALDH1A1POLB
SCHEMBL17757168 0.91 ACAT2 (0.45) ACAT2GAATSHRCDK9LMNA
SCHEMBL17757174 0.90 ACAT2 (0.41) ACAT2TSHRALDH1A1CYP3A4LMNA
SCHEMBL17757459 0.89 PDE7A (0.39) ACAT2GAATSHRALDH1A1POLB
SCHEMBL17757244 0.89 PDE7A (0.39) ACAT2GAATSHRALDH1A1POLB
SCHEMBL17757298 0.89 ACAT2 (0.43) ACAT2GAATSHRALDH1A1POLB
SCHEMBL17757303 0.88 ACAT2 (0.48) ACAT2NPC1RAB9AHTR2CHTR2B
SCHEMBL17757212 0.88 ACAT2 (0.46) ACAT2GAATSHRALDH1A1POLB
SCHEMBL17757282 0.87 ACAT2 (0.49) ACAT2LMNAHTR2CHTR2BMAP4K4
SCHEMBL17992064 0.87 ACAT2 (0.39) ACAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226185-A1 METHODS AND COMPOSITIONS FOR INDUCING FERROPTOSIS IN VIVO Kojin Therapeutics, Inc. 2023-07-20 — — 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-11541116-B1 Methods and compositions for inducing ferroptosis in vivo Kojin Therapeutics, Inc. (US) 2023-01-03 — — US 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-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 (6 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885GAA 2647/4885TSHR 1100/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885GAA 1605/4885TSHR 1490/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885GAA 1609/4885TSHR 1527/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885GAA 1605/4885TSHR 1490/4885
US-20230226185-A1 METHODS AND COMPOSITIONS FOR INDUCING FERROPTOSIS IN VIVO AIFM2, GPX4, SLC40A1 ACAT2 1342/4885GAA 2168/4885TSHR 1983/4885
US-11541116-B1 Methods and compositions for inducing ferroptosis in vivo AIFM2, GPX4, SLC40A1 ACAT2 1342/4885GAA 2168/4885TSHR 1983/4885

“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.

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