SCHEMBL1936580

SCHEMBL1936580

CC(=O)OCc1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KMO O15229 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ PPARA Q07869 3/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ F2RL3 Q96RI0 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
SCHEMBL4547966 0.85 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1936883 0.83 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1935192 0.81 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1936853 0.78 ALDH1A1 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1936952 0.77 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1197533 0.76 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1936609 0.74 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1198654 0.73 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4547975 0.71 TLR7 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1937116 0.71 EGFR (0.47) MAPTMEN1KMT2AALDH1A1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 — — US disclosed
EP-2331534-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-06-15 — — EP disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 — — WO disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 — — 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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 703/4885MEN1 4111/4885KMT2A 1376/4885

“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.

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