SCHEMBL8734826

SCHEMBL8734826

COC(=O)c1cc(F)c(C)cc1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPK14 Q16539 8/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAF1 P04049 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL681262 0.92 KDM4E (0.51) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL682170 0.91 KDM4E (0.52) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13362571 0.84 NPC1 (0.56) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1619890 0.80 ALDH1A1 (0.49) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1618336 0.78 ALDH1A1 (0.46) KDM4EMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL24730061 0.76 ATR (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL30641926 0.76 ATR (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL12727378 0.75 MAPT (0.67) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4984917 0.75 CA12 (0.52) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL507957 0.75 CA12 (0.52) KDM4ESMN1; SMN2ALDH1A1GAARAF1

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-20120129876-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
US-20090042916-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-12 US 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 (3 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-20090156620-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885MAPT 4729/4885NPC1 1960/4885
US-20090042916-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885MAPT 4729/4885NPC1 1960/4885
US-20120129876-A1 [4-(6-FLUORO-7-METHYLAMINO-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREA SALTS, FORMS AND METHODS RELATED THERETO P2RY1, P2RY6, P2RY4 KDM4E 2311/4885MAPT 4729/4885NPC1 1960/4885

“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.