SCHEMBL1019836

SCHEMBL1019836

Cc1cccc(Cc2nsc(Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
LTA4H P09960 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
IDO1 P14902 2/20 0.40
KCNN3 Q9UGI6 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MPO P05164 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DAO P14920 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1020424 0.81 HTR6 (0.42) HTR6HTR2CHTR2BIDO1TAAR1
SCHEMBL1019111 0.81 HTR6 (0.46) HTR6LTA4HIDO1TAAR1KMT2A
SCHEMBL1020042 0.80 MAPK1 (0.39) HTR6LTA4HHTR2CHTR2BIDO1
SCHEMBL1021419 0.80 RAB9A (0.45) RAB9AKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL9067833 0.78 LTA4H (0.45) LTA4HHTR2CHTR2BIDO1KCNN3
SCHEMBL1019765 0.76 MPO (0.40) KMT2AMPOMAPK1DAOKDM4E
SCHEMBL1021355 0.75 ALDH1A1 (0.43) HTR6LTA4HHTR2CHTR2BTAAR1
SCHEMBL1021673 0.74 TAAR1 (0.42) HTR6LTA4HHTR2CHTR2BIDO1
SCHEMBL17101949 0.73 MPO (0.36) MPOMAPK1TDP1DAOALDH1A1
SCHEMBL627518 0.73 MAPK1 (0.44) HTR6HTR2CHTR2BRAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS INC (US) 2016-10-06 US disclosed
US-9278962-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2016-03-08 US disclosed
US-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC (US) 2014-11-06 US disclosed
US-8759380-B2 Certain heterocycles, compositions thereof, and methods for their use CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE ASHCRAFT LUKE W (US) 2013-03-07 US disclosed
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE CYTOKINETICS, INC. 2012-11-15 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
EP-0667865-B1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES ZENECA LTD (GB) 1996-12-11 EP disclosed
EP-0667865-A1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES. ZENECA LTD (GB) 1995-08-23 EP disclosed
US-5438066-A Fungicide, insecticide, miticide and pesticide ZENECA LIMITED (GB) 1995-08-01 US disclosed
CN-1090848-A Oxadiazole and thiadiazoles derivative ZENECA LTD (GB) 1994-08-17 CN disclosed
WO-1994010159-A1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1994-05-11 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 (5 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-20140330011-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR6 2240/4885LTA4H 790/4885HTR2C 677/4885
US-20120289698-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR6 2240/4885LTA4H 790/4885HTR2C 677/4885
US-20160289211-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1S HTR6 1452/4885LTA4H 1341/4885HTR2C 519/4885
US-20130060025-A1 CERTAIN HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE F12, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ZYX HTR6 2240/4885LTA4H 790/4885HTR2C 677/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP HTR6 2082/4885LTA4H 1500/4885HTR2C 1846/4885

“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.