SCHEMBL19449796

SCHEMBL19449796

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
IDO1 P14902 4/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ACACB O00763 4/20 0.35
PLK1 P53350 1/20 0.34
LMNA P02545 1/20 0.34
FOLH1 Q04609 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL19449792 0.84 EPHX2 (0.41) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL28470841 0.84 ALDH1A1 (0.52) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL19435750 0.82 CA1 (0.48) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL27577346 0.82 LOXL2 (0.53) KMT2AHDAC1HDAC6LOXL2
SCHEMBL28466726 0.81 PLK1 (0.54) KMT2AALDH1A1POLBMAPTRAB9A
SCHEMBL19435693 0.79 MAPT (0.45) KMT2AALDH1A1MAPTRAB9AACACB
SCHEMBL28466232 0.78 PLK1 (0.57) KMT2AALDH1A1POLBTHRATHRB
SCHEMBL7733506 0.77 ALDH1A1 (0.48) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL19724896 0.77 CA1 (0.47) KMT2AALDH1A1MAPTRAB9ALMNA
SCHEMBL28460406 0.77 THRA (0.63) KMT2AALDH1A1MAPTTHRATHRB

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-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 KMT2A 545/4885IDO1 358/4885HDAC1 806/4885

“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.