SCHEMBL4839243

SCHEMBL4839243

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(C)=O)c1)NC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
EPHX2 P34913 1/20 0.40
PKM P14618 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 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
SCHEMBL4839226 1.00 TSHR (0.45) TSHRKMT2AMAPTNPC1RAB9A
SCHEMBL4835203 0.91 KMT2A (0.46) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4835212 0.91 KMT2A (0.46) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4839725 0.91 RAB9A (0.51) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4844317 0.91 KMT2A (0.43) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4844296 0.91 KMT2A (0.43) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4837741 0.91 RAB9A (0.52) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4837732 0.91 RAB9A (0.52) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4839736 0.91 RAB9A (0.51) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4843648 0.90 KMT2A (0.47) KMT2AMAPTNPC1RAB9ASMN1; SMN2

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 TSHR 2777/4885KMT2A 4642/4885MAPT 646/4885

“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.