SCHEMBL15217981

SCHEMBL15217981

CC(=O)/C=C/C(=O)Nc1ccc(C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.73
▸ DDAH1 O94760 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.63
▸ TGM2 P21980 1/20 0.61
▸ MMP1 P03956 4/20 0.60
▸ MMP2 P08253 4/20 0.60
▸ MMP9 P14780 4/20 0.60
▸ EGFR P00533 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ POLB P06746 2/20 0.55
▸ MAPT P10636 2/20 0.54
▸ THRB P10828 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LPAR2 Q9HBW0 1/20 0.52
▸ LPAR3 Q9UBY5 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL14578749 0.92 NMT1 (0.85) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL5177468 0.85 NMT1 (1.00) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL9351727 0.85 NMT1 (1.00) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL5177395 0.85 NMT1 (1.00) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL5177391 0.83 DDAH1 (1.00) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL13113092 0.83 TGM2 (0.59) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL15693012 0.83 DDAH1 (0.54) NMT1DDAH1ALDH1A1MMP1MMP2
SCHEMBL5177465 0.83 DDAH1 (1.00) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL11797311 0.82 TGM2 (0.69) NMT1DDAH1ALDH1A1TGM2MMP1
SCHEMBL6587982 0.82 NMT1 (0.70) NMT1DDAH1ALDH1A1TGM2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238472-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-08-27 — — US disclosed
US-9011882-B2 Dimethylarginine dimethylaminohydrolase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-04-21 — — US disclosed
US-20130224259-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-08-29 — — 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 (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-20150238472-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof DDAH1, DIMT1, PADI1 NMT1 565/4885DDAH1 1/4885ALDH1A1 563/4885
US-20130224259-A1 Dimethylarginine Dimethylaminohydrolase Inhibitors and Methods of Use Thereof DDAH1, DIMT1, PADI1 NMT1 565/4885DDAH1 1/4885ALDH1A1 563/4885

“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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