SCHEMBL792311

SCHEMBL792311

CCOCc1cc(NC(C)=O)ccc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 3/20 0.45
RORC P51449 1/20 0.45
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
CYP19A1 P11511 1/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NR4A1 P22736 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40

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
SCHEMBL12427114 0.86 ALDH1A1 (0.49) MEN1KMT2ATDP1RORCCYP1A2
SCHEMBL792526 0.85 POLB (0.46) MEN1KMT2ATDP1RORCCYP1A2
SCHEMBL28599971 0.79 TDP1 (0.50) MEN1KMT2ATDP1RORCCYP1A2
SCHEMBL792489 0.76 ALDH1A1 (0.40) LMNAPOLBMAPTALDH1A1RAB9A
SCHEMBL10252934 0.72 ALDH1A1 (0.36) CYP1A2LMNAPOLBKDM4EMAPT
SCHEMBL792483 0.71 PRKCI (0.39) MEN1KMT2ATDP1CYP19A1POLB
Methane SCHEMBL28213528 0.71 PKM (0.54) MEN1KMT2ATDP1CYP1A2LMNA
Acetaminophen SCHEMBL28393225 0.71 KMT2A (0.74) MEN1KMT2ATDP1RORCCYP1A2
SCHEMBL11799233 0.70 MEN1 (0.46) MEN1KMT2ATDP1RORCCYP1A2
SCHEMBL3026745 0.70 HSD17B10 (0.53) MEN1KMT2ATDP1RORCCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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 (3 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MEN1 4807/4885KMT2A 2259/4885TDP1 3889/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MEN1 4807/4885KMT2A 2259/4885TDP1 3889/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885TDP1 3276/4885

“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.