SCHEMBL791774

SCHEMBL791774

C[C@H]1CC[C@@H](C(=O)Nc2ccc(/C=C/C(=O)O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PTPN1 P18031 1/20 0.44
GBA1 P04062 2/20 0.43
CA12 O43570 1/20 0.42
AKR1B10 O60218 1/20 0.42

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
SCHEMBL13135280 0.83 NAMPT (0.72) NAMPTMEN1KMT2AMAPTGAA
SCHEMBL13533520 0.79 MAPT (0.72) NAMPTMEN1KMT2AMAPTGAA
SCHEMBL791775 0.78 HTT (0.50) MEN1KMT2AMAPTGAALMNA
SCHEMBL3357022 0.75 THRB (0.53) KMT2AGAARAB9AKDM4ENPC1
SCHEMBL3357029 0.75 THRB (0.53) KMT2AGAARAB9AKDM4ENPC1
SCHEMBL8153204 0.75 ESR2 (0.51) MEN1KMT2AMAPTGAALMNA
SCHEMBL8153202 0.75 ESR2 (0.51) MEN1KMT2AMAPTGAALMNA
SCHEMBL1088808 0.75 ESR2 (0.51) MEN1KMT2AMAPTGAALMNA
SCHEMBL8153206 0.75 ESR2 (0.51) MEN1KMT2AMAPTGAALMNA
SCHEMBL1881515 0.74 MAPT (0.69) MEN1KMT2AMAPTLMNARAB9A

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 5 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NAMPT 1302/4885MEN1 4753/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NAMPT 1302/4885MEN1 4753/4885KMT2A 1865/4885

“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.