SCHEMBL3865587

SCHEMBL3865587

CCO/C(C)=C(\C#N)C(N)=S

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HPGD P15428 4/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL3865590 1.00 ALOX15 (0.38) ALOX15ALDH1A1L3MBTL1TSHRCA12
SCHEMBL3865591 1.00 ALOX15 (0.38) ALOX15ALDH1A1L3MBTL1TSHRCA12
SCHEMBL11709261 0.82 ALOX15 (0.39) ALOX15ALDH1A1L3MBTL1TSHRCA12
SCHEMBL11709269 0.82 ALOX15 (0.39) ALOX15ALDH1A1L3MBTL1TSHRCA12
SCHEMBL7953253 0.80 ALOX15 (0.43) ALOX15ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL7953251 0.80 ALOX15 (0.43) ALOX15ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL601377 0.73 ALDH1A1 (0.44) ALOX15ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL238242 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL4525123 0.73 ALDH1A1 (0.44) ALOX15ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL238243 0.73 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1781674-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTION OF CANCER AstraZeneca AB (SE) 2007-05-09 EP disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
WO-2006018628-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTI ON OF CANCER ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 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 (7 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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 ALOX15 4245/4885ALDH1A1 672/4885L3MBTL1 828/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALOX15 183/4885ALDH1A1 4135/4885L3MBTL1 2087/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 ALOX15 943/4885ALDH1A1 293/4885L3MBTL1 4478/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 ALOX15 1269/4885ALDH1A1 214/4885L3MBTL1 3137/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 ALOX15 1269/4885ALDH1A1 214/4885L3MBTL1 3137/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI ALOX15 3941/4885ALDH1A1 316/4885L3MBTL1 997/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ALOX15 4598/4885ALDH1A1 1073/4885L3MBTL1 4177/4885

“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.