SCHEMBL4845841

SCHEMBL4845841

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc1)NC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLAU P00749 2/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
USP2 O75604 4/20 0.41
CYP3A4 P08684 4/20 0.41
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ABL1 P00519 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 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
SCHEMBL4846819 0.95 TRPV1 (0.46) PLAUPLGPLATTRPV1ALDH1A1
SCHEMBL4846828 0.95 TRPV1 (0.46) PLAUPLGPLATTRPV1ALDH1A1
SCHEMBL4841836 0.93 PLG (0.50) PLAUPLGPLATRXFP1MAPK1
SCHEMBL4841846 0.93 PLG (0.50) PLAUPLGPLATRXFP1MAPK1
SCHEMBL4843071 0.91 RXFP1 (0.43) ALDH1A1NPC1RAB9ARXFP1MAPK1
SCHEMBL4840584 0.90 NPC1 (0.51) TRPV1NPC1RAB9AABL1
SCHEMBL4840565 0.90 NPC1 (0.51) TRPV1NPC1RAB9AABL1
SCHEMBL4834858 0.89 KMT2A (0.43) PLAUCYP3A4ALDH1A1CYP2C9NPC1
SCHEMBL4834867 0.89 KMT2A (0.43) PLAUCYP3A4ALDH1A1CYP2C9NPC1
SCHEMBL4839102 0.89 RAB9A (0.49) PLAUCYP3A4ALDH1A1CYP2C9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 HDAC3 1518/4885HDAC8 199/4885HDAC6 198/4885

“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.