SCHEMBL828439

SCHEMBL828439

COC(=O)c1cc2c(Cl)cccc2s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.68
HDAC4 P56524 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
SLC9A1 P19634 6/20 0.57
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
RPS6KB1 P23443 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL829004 0.87 SLC9A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL829546 0.86 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6331785 0.86 CCNC (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9612633 0.84 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29443071 0.84 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29485573 0.83 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL699799 0.83 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5584284 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL806489 0.83 SLC9A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15698911 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2016191366-A1 MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-01 WO disclosed
WO-2016191366-A1 MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR α2 AND α4 SUBUNITS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-01 WO disclosed
US-9255111-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2016-02-09 US disclosed
EP-2918583-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS ELI LILLY AND CO. (US) 2015-09-16 EP disclosed
EP-2710000-B1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS LILLY CO ELI (US) 2015-04-29 EP disclosed
US-20150072993-A1 Parasiticidal Dihydroisoxazole Compounds JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2015-03-12 US disclosed
US-8889710-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2014-11-18 US disclosed
US-20140107149-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2014-04-17 US disclosed
EP-2710000-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS Eli Lilly and Company (US) 2014-03-26 EP disclosed
US-8648081-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2014-02-11 US disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 WO disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
US-6900216-B2 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2005-05-31 US disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2003-09-04 US disclosed
EP-1268489-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 WO disclosed
US-5863936-A HETEROCYCLIC ENZYME INHIBITORS AS ANTICANCER AGENTS GERON CORPORATION (US) 1999-01-26 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-20140107149-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS DHODH, DDT, CYP51A1 HDAC3 332/4885HDAC4 831/4885HDAC1 674/4885
US-20150072993-A1 Parasiticidal Dihydroisoxazole Compounds DHODH, DDT, CYP51A1 HDAC3 332/4885HDAC4 831/4885HDAC1 674/4885
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents GPR119, HTR3B, HTR2B HDAC3 1924/4885HDAC4 1852/4885HDAC1 1492/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R HDAC3 405/4885HDAC4 794/4885HDAC1 358/4885

“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.