SCHEMBL4093749

SCHEMBL4093749

CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc([C@@H](C)N)cc3)no2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 3/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
RORC P51449 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL3935954 1.00 MAPT (0.56) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL3935996 0.89 HSD17B10 (0.63) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL13901891 0.88 MAPT (0.56) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL3935956 0.86 MAPT (0.53) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL3933802 0.83 HSD17B10 (0.69) MAPTHSD17B10KDM4ETP53NPC1
SCHEMBL13901888 0.83 MAPT (0.52) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL4099113 0.83 MAPT (0.49) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL13901887 0.83 MAPT (0.52) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL4099115 0.83 MAPT (0.49) MAPTHSD17B10KDM4ETP53CYP3A4
SCHEMBL3935627 0.82 MAP4K4 (0.53) MAPTHSD17B10KDM4ETP53CYP3A4

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 MAPT 3755/4885HSD17B10 1621/4885KDM4E 4055/4885

“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.