SCHEMBL4547971

SCHEMBL4547971

O=C(Nc1cccc2oc(-c3cccc(C(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.51
▸ ALOX15 P16050 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ P4HB P07237 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.41

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
SCHEMBL4547972 0.86 NPC1 (0.50) ALOX15ALDH1A1TSHRSMN1; SMN2MCL1
SCHEMBL4547969 0.86 ALDH1A1 (0.60) ALOX15ALDH1A1TSHRSMN1; SMN2MCL1
SCHEMBL4547970 0.85 TLR7 (0.42) ALDH1A1TLR7MAPTSRPK1IDE
SCHEMBL1035032 0.81 BRAF (0.52) BRAFALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL12673172 0.79 PARP1 (0.54) BRAFALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL12029050 0.77 SMN1; SMN2 (0.49) BRAFALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL12219995 0.76 BRAF (0.51) BRAFALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL12029122 0.76 BRAF (0.51) BRAFALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL12753167 0.75 SMN1; SMN2 (0.56) BRAFALOX15ALDH1A1TSHRSMN1; SMN2
SCHEMBL12029162 0.74 BRAF (0.50) BRAFALOX15ALDH1A1TSHRSMN1; 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 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 BRAF 2642/4885ALOX15 956/4885ALDH1A1 1335/4885

“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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