SCHEMBL4738529

SCHEMBL4738529

O=C(O)c1cc(-c2ccncc2)cc2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
FTO Q9C0B1 1/20 0.39
MAPT P10636 2/20 0.39
CHUK O15111 2/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL4737367 0.85 ACMSD (0.47) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4785991 0.84 KDM4E (0.45) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4735591 0.83 CYP11B2 (0.56) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4737031 0.82 SMN1; SMN2 (0.50) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4735875 0.82 ACMSD (0.50) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4737512 0.82 TP53 (0.44) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4734815 0.82 NPC1 (0.47) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4735845 0.80 KDM4E (0.46) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4738334 0.80 PDCD1 (0.45) TP53SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL4735326 0.80 TSHR (0.49) TP53SMN1; SMN2KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ROCK2 2065/4885ROCK1 1969/4885CYP3A4 1495/4885

“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.