SCHEMBL21885517

SCHEMBL21885517

CN(C)c1ccc2c(Nc3ccccc3N)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ BLM P54132 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ P2RY6 Q15077 1/20 0.42
▸ ABCB1 P08183 2/20 0.36
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ HTR3A P46098 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ ITPR1 Q14643 1/20 0.33
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL10035109 0.74 MEN1 (0.55) MEN1KMT2ABLMTHRBRECQL
SCHEMBL13525202 0.74 MEN1 (1.00) MEN1KMT2ABLMTHRBRECQL
SCHEMBL14013309 0.74 MEN1 (0.66) MEN1KMT2ABLMTHRBRECQL
Hydrochloric Acid SCHEMBL16295013 0.73 MEN1 (0.98) MEN1KMT2ABLMTHRBRECQL
SCHEMBL13428244 0.73 MEN1 (0.75) MEN1KMT2ABLMTHRBRECQL
SCHEMBL14013408 0.73 MEN1 (0.79) MEN1KMT2ABLMTHRBRECQL
SCHEMBL13015820 0.72 MEN1 (0.64) MEN1KMT2ABLMTHRBRECQL
SCHEMBL21648601 0.72 MEN1 (0.73) MEN1KMT2ABLMTHRBRECQL
SCHEMBL13018157 0.72 MEN1 (0.63) MEN1KMT2ABLMTHRBRECQL
SCHEMBL27308727 0.72 MEN1 (0.63) MEN1KMT2ABLMTHRBRECQL

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-10640513-B2 Compound and composition for detecting phosgene and diethyl chlorophosphate EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2020-05-05 — — US disclosed
US-10640513-B2 Compound and composition for detecting phosgene and diethyl chlorophosphate EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2020-05-05 — — 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-10640513-B2 Compound and composition for detecting phosgene and diethyl chlorophosphate DCPS, DCTPP1, PPIP5K2 MEN1 2097/4885KMT2A 3730/4885BLM 2017/4885

“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.

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