SCHEMBL11513786

SCHEMBL11513786

CC(=O)NC(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 2/20 0.48
RECQL P46063 1/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
AKR1C2 P52895 1/20 0.43
PLA2G1B P04054 1/20 0.43

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
SCHEMBL10006566 1.00 MTNR1A (0.54) MTNR1AMTNR1BAKR1C3AKR1C1RECQL
SCHEMBL4659375 0.82 MTNR1A (0.46) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL7584602 0.82 MTNR1A (0.46) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL4659374 0.82 MTNR1A (0.46) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL388144 0.81 MTNR1A (0.44) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL5072835 0.81 MTNR1A (0.44) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL6648182 0.81 MTNR1A (0.44) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL387761 0.79 MTNR1A (0.43) MTNR1AMTNR1BMAPTPOLBALDH1A1
SCHEMBL11038550 0.79 RAB9A (0.51) AKR1C1MAPTPOLBALDH1A1HTT
SCHEMBL19435785 0.79 AKR1C3 (0.61) MTNR1AMTNR1BAKR1C3AKR1C1RECQL

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-4137417-A Process for producing an enamide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-01-30 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 MTNR1A 4001/4885MTNR1B 4306/4885AKR1C3 3436/4885

“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.