SCHEMBL4369101

SCHEMBL4369101

CN(C)C1CCN(Cc2cc(N=C=S)ccc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MITF O75030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
KDM1A O60341 1/20 0.36
DDR1 Q08345 7/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL13861968 0.79 MEN1 (0.46) KDM4EMITFL3MBTL1LTA4HKDM1A
SCHEMBL4543484 0.79 SCN1A (0.32) DDR1SCN1ASCN8A
SCHEMBL4371470 0.78 LTA4H (0.41) KDM4EMITFL3MBTL1LTA4HKDM1A
SCHEMBL13861945 0.78 MAPT (0.44) KDM4EL3MBTL1HRH3TP53CYP3A4
SCHEMBL4369145 0.77 ALDH1A1 (0.46) KDM4EL3MBTL1CYP1A2CYP2D6ALDH1A1
SCHEMBL4367235 0.77 SIGMAR1 (0.36) KDM4EL3MBTL1TP53CYP3A4CYP1A2
SCHEMBL13861944 0.74 CYP2A13 (0.52) KDM4EL3MBTL1HRH3CYP3A4CYP2D6
SCHEMBL13861939 0.74 SOS1 (0.39) KDM4EL3MBTL1DDR1HRH3TP53
SCHEMBL4369274 0.74 ALDH1A1 (0.65) KDM4EDDR1SCN1ASCN8ACYP1A2
SCHEMBL13861952 0.72 NPSR1 (0.43) KDM4ETP53ALDH1A1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS KDM4E 2631/4885MITF 478/4885L3MBTL1 2836/4885

“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.