Sugi Predict

Sugi Predict / Compounds / SCHEMBL3140677

SCHEMBL3140677

SCHEMBL3140677

Cc1cc(-c2csc(N)n2)cc(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.52
▸ RAB9A P51151 8/20 0.49
▸ SMN1; SMN2 Q16637 8/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 9/20 0.49
▸ LTA4H P09960 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ GFER P55789 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ AR P10275 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48

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
SCHEMBL28042413 0.85 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL27916623 0.85 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL27986862 0.83 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL16003853 0.82 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL27985361 0.82 LTA4H (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL21230568 0.82 GAA (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7236001 0.81 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL17407200 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL17407201 0.81 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL27428414 0.78 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 — — US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 — — US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 — — US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 — — US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 — — EP disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — 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 (2 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 ALDH1A1 1565/4885RAB9A 2669/4885SMN1; SMN2 1804/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 4423/4885RAB9A 487/4885SMN1; SMN2 1431/4885

“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.