SCHEMBL14788482

SCHEMBL14788482

C#CC(=O)N(CC(=O)NCC(=O)OCC)c1ccc(-n2cnnn2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.40
▸ POLB P06746 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL14788384 0.80 USP2 (0.51) LMNAGAAALDH1A1POLBMEN1
SCHEMBL12696372 0.66 ATM (0.45) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL12639693 0.63 USP2 (0.73) LMNAGAAALDH1A1POLBMEN1
SCHEMBL1196221 0.61 KMT2A (0.49) LMNAGAAALDH1A1KMT2ANPC1
SCHEMBL15757909 0.61 HSD17B10 (0.55) LMNAGAAALDH1A1POLBTDP1
SCHEMBL15017706 0.61 ALDH1A1 (0.42) LMNAGAAALDH1A1POLBMEN1
SCHEMBL5868881 0.60 LMNA (0.64) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4935695 0.59 MAPT (0.50) LMNAALDH1A1POLBTDP1MEN1
SCHEMBL11310121 0.59 HTT (0.44) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL16109415 0.59 CTSS (0.62) ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-21 — — 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-20130071328-A1 Propynoic Acid Carbamoyl Methyl-Amides and Pharmaceutical Compositions and Methods Based Thereon RELA, NFE2, NCOA1 LMNA 1318/4885GAA 2437/4885ALDH1A1 1558/4885

“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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