SCHEMBL30523

SCHEMBL30523

C=CCn1cccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
ATM Q13315 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.38
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2813908 0.83 NPC1 (0.38) ALDH1A1NPC1RAB9AKMT2AMEN1
Bromide SCHEMBL12482879 0.82 NPC1 (0.37) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL29096262 0.80 TRIM24 (0.45) TRIM24TRIM33ALDH1A1NPC1RAB9A
SCHEMBL27618964 0.79
SCHEMBL28725471 0.78 ALDH1A1 (0.46) TRIM24TRIM33ALDH1A1NPC1RAB9A
SCHEMBL27618963 0.76 TRIM24 (0.50) TRIM24TRIM33ALDH1A1NPC1RAB9A
SCHEMBL25316781 0.76 NPC1 (0.49) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL6127705 0.75
SCHEMBL5403668 0.75
SCHEMBL8772644 0.74 ALDH1A1 (0.50) TRIM24TRIM33ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54041868-A None JP disclosed
CN-106661034-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2019-11-29 CN disclosed
EP-2527340-B1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-17 EP disclosed
EP-2407466-B1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-8765750-B2 Piperazine compound having a PGDS inhibitory effect TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
US-8344150-B2 Pyrrole end-capped bipyridine assay powder for selective detection of zinc ions and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-01-01 US disclosed
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-12-06 US disclosed
EP-0159677-B1 NOVEL 4,5-BIS(4-METHOXYPHENYL)-2-(PYRROL-2-YL)THIAZOLES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KANEBO, LTD. (JP) 1989-02-22 EP disclosed
US-4753956-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1988-06-28 US disclosed
US-4689336-A Hypoglycemic 5-substituted oxazolidine 2,4-diones PFIZER INC. (US) 1987-08-25 US disclosed
US-4659726-A ANTICOAGULANTS KANEBO, LTD. (JP) 1987-04-21 US disclosed
US-4565820-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-01-21 US disclosed
EP-0159677-A2 Novel 4,5-bis(4-methoxyphenyl)-2-(pyrrol-2-yl)thiazoles, process for the preparation thereof and pharmaceutical composition containing the same KANEBO, LTD. (JP) 1985-10-30 EP disclosed
US-4431810-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1984-02-14 US disclosed
US-4342771-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-08-03 US disclosed
JP-S5441868-A PRODUCTION OF N-ALKYLPYRROLYL-2-ACETIC ACID SAGAMI CHEM RES CENTER 1979-04-03 JP disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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 (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-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 TRIM24 4627/4885TRIM33 4670/4885ALDH1A1 360/4885
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT GRIK5, GRK5, KCNJ5 TRIM24 4107/4885TRIM33 3914/4885ALDH1A1 1745/4885

“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.