SCHEMBL4547970

SCHEMBL4547970

O=C(Nc1cccc2oc(-c3cccc(C(F)(F)F)c3)nc12)c1cscn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ P2RY14 Q15391 2/20 0.40
▸ CYP2C9 P11712 5/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ IDE P14735 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ UTRN P46939 1/20 0.38
▸ ADCY1 Q08828 1/20 0.38

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
SCHEMBL1937113 0.86 P2RY14 (0.45) P2RY14PIM1TP53MAPT
SCHEMBL4547968 0.86 PIM1 (0.47) ALDH1A1PIM1MAPK10MAPT
SCHEMBL4547971 0.85 BRAF (0.51) TLR7ALDH1A1P2RY14IDEMAPK1
SCHEMBL1035042 0.81 TLR7 (0.43) TLR7ALDH1A1CYP2C9CYP3A4CYP2C8
SCHEMBL1895860 0.79 PARP1 (0.54) TLR7ALDH1A1CYP2C9CYP3A4CYP2C8
SCHEMBL2148932 0.76 CYP1A1 (0.51) TLR7ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL12029119 0.76 CYP2C9 (0.45) TLR7ALDH1A1CYP2C9CYP3A4CYP2C8
SCHEMBL12753188 0.75 CYP2C9 (0.45) TLR7ALDH1A1CYP2C9CYP3A4CYP2C8
SCHEMBL1034906 0.73 CYP2C9 (0.40) TLR7ALDH1A1CYP2C9CYP3A4CYP2C8
SCHEMBL442096 0.73 TOP2A (0.48) ALDH1A1P2RY14TP53MAPTUTRN

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 3 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
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 TLR7 2866/4885ALDH1A1 1335/4885CSNK2A2 3071/4885

“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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