SCHEMBL2774299

SCHEMBL2774299

CCOC(=O)c1onc(-c2ccc(Br)o2)c1CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 6/20 0.55
POLB P06746 3/20 0.55
PKM P14618 2/20 0.55
PLK1 P53350 1/20 0.46
FBP1 P09467 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TARBP2 Q15633 1/20 0.38
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
CACNA1C Q13936 2/20 0.36

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
SCHEMBL3662567 0.95 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBPKMPLK1
SCHEMBL2776326 0.86 KDM4E (0.58) ALDH1A1KDM4EPOLBPKMPLK1
SCHEMBL2776180 0.79 GABRA5 (0.54) ALDH1A1KDM4EPOLBPLK1MAPT
SCHEMBL2779037 0.78 PLK1 (0.45) ALDH1A1PLK1NPSR1HPGDHSD17B10
SCHEMBL2773522 0.77 KDM4E (0.47) ALDH1A1KDM4EPKMPLK1NPSR1
SCHEMBL2775338 0.76 TARBP2 (0.50) ALDH1A1KDM4EPOLBPLK1PTGS1
SCHEMBL2778422 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBPKMFBP1
SCHEMBL2777311 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBPKMMAPT
SCHEMBL2776937 0.75 KDM4E (0.47) ALDH1A1KDM4EPOLBPKMPLK1
SCHEMBL2776165 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBPKMFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 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-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 ALDH1A1 219/4885KDM4E 710/4885POLB 1984/4885

“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.