SCHEMBL4838307

SCHEMBL4838307

COc1ccc(C(=O)/C=C2\NC(C)(C)Sc3ccc(OC)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 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
SCHEMBL4838315 1.00 HSP90AA1 (0.42) HSP90AA1MAPTALDH1A1NPC1RAB9A
SCHEMBL4846384 0.93 SCD (0.38) HSP90AA1MAPTALDH1A1NPC1RAB9A
SCHEMBL4846371 0.93 SCD (0.38) HSP90AA1MAPTALDH1A1NPC1RAB9A
SCHEMBL14181780 0.93 NPC1 (0.41) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL4839812 0.90 SNCA (0.39) HSP90AA1MAPTALDH1A1NPC1RAB9A
SCHEMBL4837758 0.90 MAOA (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4837771 0.90 MAOA (0.47) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4839829 0.90 SNCA (0.39) HSP90AA1MAPTALDH1A1NPC1RAB9A
SCHEMBL4838516 0.90 MAPT (0.47) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL4838507 0.90 MAPT (0.47) MAPTALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 HSP90AA1 2527/4885MAPT 646/4885ALDH1A1 2636/4885

“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.