SCHEMBL5186343

SCHEMBL5186343

Oc1cccc(-c2cnc(Cl)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.58
HSD17B2 P37059 9/20 0.58
VCP P55072 1/20 0.49
CYP3A4 P08684 5/20 0.46
CYP2C9 P11712 3/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TNKS O95271 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 2/20 0.45
HPGD P15428 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL30041533 0.82 VCP (0.55) VCPGABRPGABRDGABRA1GABRB1
SCHEMBL23539672 0.82 VCP (0.55) VCPGABRPGABRDGABRA1GABRB1
SCHEMBL5186267 0.79 HSD17B1 (0.58) HSD17B1HSD17B2VCPCYP3A4CYP2C9
SCHEMBL17129773 0.79 MAP4K4 (0.51) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL29431730 0.79 HSD17B1 (0.58) HSD17B1HSD17B2VCPCYP3A4CYP2C9
SCHEMBL9954595 0.79 GABRP (0.46) VCPFAAHMEN1KMT2AGABRP
SCHEMBL1363021 0.77 ALOX15 (0.59) VCPCYP2C9MEN1KMT2AALDH1A1
SCHEMBL31286056 0.77 NOTUM (0.46) HSD17B1HSD17B2VCP
SCHEMBL22276810 0.77 NOTUM (0.46) HSD17B1HSD17B2VCP
SCHEMBL4539660 0.77 HSD17B1 (0.55) HSD17B1HSD17B2VCPCYP3A4CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-20070142437-A1 CHEMICAL COMPOUNDS BROWN MATTHEW L 2007-06-21 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-7189712-B2 1,3-Oxazole compounds for the treatment of cancer SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050288515-A1 Chemical compounds SMITHLINE BEECHAM CORPORATION 2005-12-29 US disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 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 (2 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-20070142437-A1 CHEMICAL COMPOUNDS CDK4, CDK2, CDK3 HSD17B1 1716/4885HSD17B2 1394/4885VCP 3873/4885
US-20050288515-A1 Chemical compounds CDK4, CDK2, CDK3 HSD17B1 1716/4885HSD17B2 1394/4885VCP 3873/4885

“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.