SCHEMBL20477243

SCHEMBL20477243

CCOC(=O)c1nn(Cc2ccccc2)cc1CC=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP19A1 P11511 4/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL24241365 0.89 ALDH1A1 (0.52) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL20477480 0.86 ALDH1A1 (0.56) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL20477406 0.85 KMT2A (0.47) ALDH1A1LMNANPC1RAB9AMAPK1
SCHEMBL20477298 0.84 ALDH1A1 (0.54) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL20477301 0.84 ALDH1A1 (0.54) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL28740607 0.83 ALDH1A1 (0.53) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL20477266 0.83 ALDH1A1 (0.53) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL20477335 0.83 SMN1; SMN2 (0.56) ALDH1A1LMNANPC1RAB9ACYP19A1
SCHEMBL20477366 0.83 ALDH1A1 (0.43) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL25604980 0.83 ALDH1A1 (0.57) ALDH1A1LMNANPC1RAB9ACYP19A1

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-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2023-10-19 US disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed
CN-108431004-B Heterocyclic compounds 武田药品工业株式会社 2021-02-12 CN disclosed
US-10787462-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-29 US disclosed
EP-3366684-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
US-20180319819-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-08 US disclosed
EP-3366684-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-29 EP 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 (3 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-10787462-B2 Heterocyclic compound RIPK1, RIPK4, RIPK3 ALDH1A1 2773/4885LMNA 2277/4885NPC1 44/4885
US-20230331707-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF RIPK1, RIPK4, RIPK3 ALDH1A1 4259/4885LMNA 1492/4885NPC1 600/4885
US-20180319819-A1 HETEROCYCLIC COMPOUND RIPK1, RIPK4, RIPK3 ALDH1A1 2773/4885LMNA 2277/4885NPC1 44/4885

“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.