SCHEMBL4840822

SCHEMBL4840822

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3ccccc3)cc1)NC(C)(C)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 7/20 0.49
PGR P06401 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KCNK9 Q9NPC2 2/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NLRP3 Q96P20 1/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4840832 1.00 NPC1 (0.49) NPC1RAB9APGRMAPTALDH1A1
SCHEMBL4835346 0.97 KCNK9 (0.47) NPC1RAB9APGRMAPTALDH1A1
SCHEMBL4835360 0.97 KCNK9 (0.47) NPC1RAB9APGRMAPTALDH1A1
SCHEMBL4834781 0.95 TRPV1 (0.48) NPC1RAB9APGRMAPTALDH1A1
SCHEMBL4834790 0.95 TRPV1 (0.48) NPC1RAB9APGRMAPTALDH1A1
SCHEMBL4839109 0.95 RAB9A (0.49) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4839102 0.95 RAB9A (0.49) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4837792 0.94 KMT2A (0.51) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4837807 0.94 KMT2A (0.51) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4835233 0.93 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1KDM4E

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 NPC1 985/4885RAB9A 2220/4885PGR 589/4885

“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.