SCHEMBL5750702

SCHEMBL5750702

CC(=O)c1ccc(-c2cc3cnccc3nc2NC(=O)NC2CCCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
EPHX1 P07099 3/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
EPHX2 P34913 1/20 0.39
ALOX15 P16050 1/20 0.39
PRMT3 O60678 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 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
SCHEMBL5751689 0.84 CYP3A4 (0.43) ALDH1A1CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL5867000 0.82 FGFR1 (0.47) CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL5866915 0.82 FGFR1 (0.47) NPC1RAB9ASMN1; SMN2CYP3A4CYP2A6
SCHEMBL5747463 0.80 EPHX1 (0.46) GAAEPHX1POLBNPC1RAB9A
SCHEMBL5866901 0.79 KMT2A (0.43) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5749987 0.79 ALDH1A1 (0.51) GAANPC1RAB9AMEN1ALDH1A1
SCHEMBL5750018 0.78 POLB (0.47) GAAEPHX1POLBNPC1RAB9A
SCHEMBL5747448 0.78 NPC1 (0.45) GAAEPHX1POLBNPC1RAB9A
SCHEMBL5748571 0.77 NPC1 (0.51) GAAEPHX1POLBNPC1RAB9A
SCHEMBL5749355 0.77 LMNA (0.49) EPHX1POLBNPC1RAB9AMEN1

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
EP-1372648-B1 TIE2 RECEPTOR KINASE INHIBITORS FOR TREATING ANGIOGENIC DISEASES SMITHKLINE BEECHAM CORP (US) 2006-03-15 EP disclosed
US-7005434-B2 Compounds and uses thereof SB CORPORATION (US) 2006-02-28 US disclosed
US-20040048888-A1 Novel compounds and uses thereof SMITHKLINE BEECHAM CORPORATION 2004-03-11 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 (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-20040048888-A1 Novel compounds and uses thereof TEK, TIE1, KDR GAA 1568/4885EPHX1 628/4885POLB 3228/4885

“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.