SCHEMBL19385576

SCHEMBL19385576

CNC(=O)OC(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CASP3 P42574 1/20 0.41

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
SCHEMBL19385614 0.78 KMT2A (0.46) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL19385458 0.78 CTSK (0.49) MAPK1ALDH1A1CTSLCTSBCTSK
SCHEMBL19385485 0.77 KMT2A (0.45) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL19385529 0.76 CTSK (0.48) CTSLCTSBCTSKRAB9A
SCHEMBL1529952 0.74 TDP1 (0.51) MAPK1ALDH1A1GAATDP1L3MBTL1
SCHEMBL19401002 0.74 TDP1 (0.51) MAPK1ALDH1A1GAATDP1L3MBTL1
SCHEMBL28557734 0.73 HDAC1 (0.44) MAPK1ALDH1A1GAAL3MBTL1POLB
SCHEMBL28557732 0.73 HDAC1 (0.44) MAPK1ALDH1A1GAAL3MBTL1POLB
SCHEMBL9506391 0.73 CTSK (0.55) MAPK1CTSLCTSBCTSKCYP3A4
SCHEMBL4898325 0.72 ATM (0.60) CTSLCTSBCTSKCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484464-B1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-10-28 — — EP disclosed
US-10442778-B2 N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2019-10-15 — — US disclosed
EP-3484464-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-05-22 — — EP disclosed
US-20190092738-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2019-03-28 — — US disclosed
WO-2017165204-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — 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 (2 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-20190092738-A1 N1-PHENYLPROPANE-1,2-DIAMINE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, TRPA1 MAPK1 278/4885ALDH1A1 477/4885GAA 3264/4885
US-10442778-B2 N1-phenylpropane-1,2-diamine compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, TRPA1 MAPK1 278/4885ALDH1A1 477/4885GAA 3264/4885

“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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