SCHEMBL1935192

SCHEMBL1935192

FC(F)(F)c1cccc(-c2nc3c(CCl)ccnc3s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMO O15229 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ GRIN1 Q05586 3/20 0.36
▸ GRIN2B Q13224 3/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36

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
SCHEMBL1936883 0.88 MEN1 (0.46) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL4547966 0.88 MEN1 (0.48) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL1936580 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL1936952 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL1936609 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL1936853 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL4547975 0.73 TLR7 (0.49) ALDH1A1SMN1; SMN2KMOMEN1MAPT
SCHEMBL3919392 0.73 KDM4E (0.42) ALDH1A1MEN1MAPTKMT2ATLR7
SCHEMBL1034161 0.71 CTSS (0.47) ALDH1A1KMOCTSSKDM4E
SCHEMBL1451665 0.71 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A

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-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
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 ALDH1A1 1335/4885SMN1; SMN2 2153/4885KMO 247/4885

“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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