SCHEMBL19435693

SCHEMBL19435693

C=C(NC(C)=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
HSD17B1 P14061 1/20 0.43
NPC1 O15118 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPK1 P28482 2/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
NLRP1 Q9C000 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL19724896 0.85 CA1 (0.47) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL7733506 0.85 ALDH1A1 (0.48) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL27568390 0.83 CES2 (0.46) KMT2AL3MBTL1SMN1; SMN2MEN1ALDH1A1
SCHEMBL14537184 0.83 ALDH1A1 (0.53) MAPTRAB9AKMT2ALMNASMN1; SMN2
SCHEMBL19435712 0.83 TPMT (0.45) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL6294231 0.83 EPHX1 (0.49) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL979427 0.83 CES1 (0.46) MAPTRAB9AHPGDKMT2ALMNA
SCHEMBL19454923 0.82 CA1 (0.53) MAPTRAB9AKMT2AL3MBTL1NPC1
SCHEMBL19435797 0.82 SMN1; SMN2 (0.55) MAPTRAB9AHPGDKMT2AL3MBTL1
SCHEMBL7733569 0.80 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1TP53

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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 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-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 MAPT 4231/4885RAB9A 1323/4885HPGD 758/4885

“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.