SCHEMBL2632243

SCHEMBL2632243

CC(=O)/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
HDAC2 Q92769 3/20 0.65
MAPT P10636 4/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HDAC3 O15379 1/20 0.52
TNKS O95271 1/20 0.52
HDAC4 P56524 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL4054009 1.00 GLA (0.77) GLATDP1HDAC2MAPTHDAC1
Biphenyl SCHEMBL27860494 0.94 GLA (0.88) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL312972 0.87 TDP1 (1.00) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL12984182 0.87 TDP1 (1.00) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL76632 0.87 TDP1 (1.00) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL4306181 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL792625 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL14763524 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL7053850 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL6235457 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502109-A1 TRIAZOLE-PHENYL-THIAZOLE HETEROCYCLES AS INNOVATIVE INHIBITORS OF TRYPANOTHIONE REDUCTASE AND THEIR USE AS LEISHMANICIDES Consejo Superior De Investigaciones Científicas (ES) 2019-06-26 EP disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed
US-7291743-B2 Isoxazole derivatives and methods of treating nitric oxide mediated diseases GENEBLUE CORPORATION (US) 2007-11-06 US disclosed
US-4393079-A ANTIINFLAMMATORY AROMATIC KETONES BEECHAM GROUP LIMITED (GB) 1983-07-12 US disclosed
US-4262013-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-14 US disclosed
US-4216232-A Pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1980-08-05 US disclosed
US-4198425-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1980-04-15 US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 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 (4 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 GLA 2579/4885TDP1 1761/4885HDAC2 910/4885
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 GLA 770/4885TDP1 4032/4885HDAC2 4198/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 GLA 2579/4885TDP1 1761/4885HDAC2 910/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 GLA 770/4885TDP1 4032/4885HDAC2 4198/4885

“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.