SCHEMBL1937113

SCHEMBL1937113

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 4/20 0.45
▸ MAPT P10636 3/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ DHODH Q02127 6/20 0.40
▸ TP53 P04637 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL4547970 0.86 TLR7 (0.42) P2RY14MAPTTP53PIM1
SCHEMBL4547972 0.86 NPC1 (0.50) P2RY14MAPTIRAK4DHODHTP53
SCHEMBL4547968 0.84 PIM1 (0.47) MAPTPIM1HDAC3HDAC1
SCHEMBL1033832 0.82 IRAK4 (0.47) IRAK4DHODHPIM1HDAC1
SCHEMBL12219992 0.77 GPR35 (0.42) MAPTDHODH
SCHEMBL12029121 0.77 IRAK4 (0.43) IRAK4DHODHPIM1HDAC1HDAC6
SCHEMBL12753138 0.76 IRAK4 (0.47) IRAK4DHODHTP53PIM1HDAC1
SCHEMBL1036204 0.73 MAP4K4 (0.44) IRAK4
SCHEMBL4547971 0.72 BRAF (0.51) P2RY14MAPTHDAC3HDAC1HDAC2
SCHEMBL1936619 0.71 ATR (0.46) P2RY14MAPTDHODHTP53

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 P2RY14 595/4885MAPT 703/4885IRAK4 1061/4885

“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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