SCHEMBL1915457

SCHEMBL1915457

COc1ccc(Cl)cc1-c1csc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ AGPAT2 O15120 11/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ ALOX5 P09917 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
SCHEMBL5327111 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL30641473 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL8894539 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL8893338 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL1800878 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EAGPAT2LTA4H
SCHEMBL8895685 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL29796690 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL234658 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL1802577 0.78 MPL (0.65) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL8896650 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459039-A 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2017-02-22 — — CN disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 — — CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 — — US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 — — EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 — — WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 — — WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 — — 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 (1 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ALDH1A1 623/4885KDM4E 3636/4885AGPAT2 289/4885

“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.

Send feedback