SCHEMBL4844570

SCHEMBL4844570

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c1)NC(C)(C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
ADORA3 P0DMS8 1/20 0.51
KCNK9 Q9NPC2 2/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.48
NLRP3 Q96P20 1/20 0.47
KCNK3 O14649 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
SNCA P37840 1/20 0.43
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL4844588 1.00 TRPV1 (0.53) TRPV1ADORA3KCNK9KMT2ANPC1
SCHEMBL4839725 0.96 RAB9A (0.51) TRPV1ADORA3KCNK9KMT2ANPC1
SCHEMBL4839736 0.96 RAB9A (0.51) TRPV1ADORA3KCNK9KMT2ANPC1
SCHEMBL4834781 0.92 TRPV1 (0.48) TRPV1ADORA3KMT2ANPC1RAB9A
SCHEMBL4834790 0.92 TRPV1 (0.48) TRPV1ADORA3KMT2ANPC1RAB9A
SCHEMBL4846336 0.92 TP53 (0.48) KCNK9KMT2ANPC1RAB9AMEN1
SCHEMBL4846328 0.92 TP53 (0.48) KCNK9KMT2ANPC1RAB9AMEN1
SCHEMBL4838059 0.92 KCNK3 (0.47) KCNK9KMT2ANPC1RAB9AMEN1
SCHEMBL4838069 0.92 KCNK3 (0.47) KCNK9KMT2ANPC1RAB9AMEN1
SCHEMBL4841120 0.91 RAB9A (0.48) KCNK9KMT2ANPC1RAB9AMEN1

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 TRPV1 1672/4885ADORA3 1555/4885KCNK9 3540/4885

“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.