SCHEMBL17407696

SCHEMBL17407696

OC(O)C1N(Cc2ccccc2)C=CN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FUCA1 P04066 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
CALM1 P0DP23 1/20 0.37
CYP19A1 P11511 2/20 0.36
EHMT2 Q96KQ7 1/20 0.36
GRIN2B Q13224 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MGLL Q99685 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 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
SCHEMBL5328428 0.77 ALDH1A1 (0.36) MEN1KMT2AFUCA1SIGMAR1CYP19A1
SCHEMBL5308283 0.74 ALDH1A1 (0.37) SIGMAR1ACHE
SCHEMBL5286644 0.74 ALDH1A1 (0.37) KMT2ASIGMAR1ELANEGSK3AGSK3B
SCHEMBL1078734 0.72 ACHE (0.47) MEN1KMT2AFUCA1SIGMAR1F2
SCHEMBL5293654 0.72 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL7137668 0.71 SIGMAR1 (0.41) MEN1KMT2AFUCA1SIGMAR1F2
Hydrochloric Acid SCHEMBL18789343 0.71 ACHE (0.46) MEN1KMT2AFUCA1SIGMAR1KDM4E
SCHEMBL5322094 0.71 ACHE (0.42) KMT2AFUCA1SIGMAR1ACHE
SCHEMBL5300171 0.70 ABL1 (0.38) SIGMAR1
SCHEMBL5329132 0.68 KMT2A (0.34) MEN1KMT2AFUCA1CYP19A1ACHE

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-9863048-B2 Synthesis and use of biobased imidazolium carboxylates Université de Bourgogne (FR) 2018-01-09 US disclosed
US-20160002796-A1 SYNTHESIS AND USE OF BIOBASED IMIDAZOLIUM CARBOXYLATES Université de Bourgogne (FR) 2016-01-07 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-20160002796-A1 SYNTHESIS AND USE OF BIOBASED IMIDAZOLIUM CARBOXYLATES IDH2, IDH1, HOGA1 MEN1 2493/4885KMT2A 4032/4885FUCA1 842/4885

“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.