SCHEMBL803736

SCHEMBL803736

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCOCC1)c1cc(C)ccc1-3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL792650 0.91 MEN1 (0.40) NR1I2MEN1KMT2AALDH1A1NPC1
SCHEMBL14572867 0.88 NR1I2 (0.42) NR1I2MEN1KMT2AALDH1A1RAB9A
SCHEMBL803832 0.86 MEN1 (0.31) MEN1KMT2AALDH1A1KDM4E
SCHEMBL10283718 0.82 CYP2D6 (0.34) NR1I2MEN1KMT2AALDH1A1RAB9A
SCHEMBL12510200 0.80 SCN9A (0.36) ALDH1A1TP53MAPTPOLBHPGD
SCHEMBL792610 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL792319 0.79 KMT2A (0.35) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL803861 0.77 SCN9A (0.30)
SCHEMBL792670 0.77 KMT2A (0.34) NR1I2MEN1KMT2AALDH1A1POLB
SCHEMBL792951 0.76 SCN9A (0.39) NR1I2ALDH1A1NPC1RAB9ATP53

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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885MEN1 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.