SCHEMBL9065796

SCHEMBL9065796

COC(=O)c1c(C(=O)OC)c(-c2ccncc2)n(C)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 1/20 0.48
GABRA1 P14867 4/20 0.48
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRA3 P34903 4/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
GABRA2 P47869 2/20 0.46
GABRA5 P31644 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR4A2 P43354 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL15070199 0.94 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL15074528 0.87 MAPK1 (0.51) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL15074638 0.84 NSD3 (0.49) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL9065801 0.83 GABRA1 (0.44) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL15070203 0.83 GABRA1 (0.47) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL15074552 0.82 AR (0.57) MEN1KMT2AALDH1A1RAB9ATP53
SCHEMBL15070377 0.79 GABRA1 (0.41) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL15070721 0.78 AR (0.53) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL10462205 0.75 GABRA1 (0.53) MEN1KMT2AALDH1A1RAB9AGABRA1
SCHEMBL4426390 0.74 RAF1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-5583148-A FUNGICIDE, BACTERICIDE AND ANTICARCINOGENIC AGENT RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-12-10 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B MEN1 3063/4885KMT2A 2981/4885ALDH1A1 3473/4885

“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.