SCHEMBL792035

SCHEMBL792035

CCN(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.48
HSP90AA1 P07900 2/20 0.48
PDK2 Q15119 2/20 0.48
HSP90AB1 P08238 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
OPRD1 P41143 1/20 0.43
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
USP2 O75604 2/20 0.42
NSD2 O96028 1/20 0.41
MAPT P10636 2/20 0.41
HTR7 P34969 1/20 0.41
APP P05067 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL643963 0.84 ALDH1A1 (0.59) PDK1HSP90AA1PDK2HSP90AB1PDK3
SCHEMBL20077314 0.80 ESR1 (0.47) ALDH1A1MAPTAPPTSHRLMNA
SCHEMBL22259609 0.78 BCL2L1 (0.57) PDK2ALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL15218743 0.77 NSD2 (0.54) PDK2RAB9AALDH1A1SMN1; SMN2OPRD1
SCHEMBL3170579 0.74 RAB9A (0.73) HSP90AA1HSP90AB1RAB9AALDH1A1HPGD
SCHEMBL22259645 0.74 APP (0.55) PDK1HSP90AA1PDK2HSP90AB1PDK3
SCHEMBL1004649 0.73 ALDH1A1 (0.73) HSP90AA1PDK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL2777453 0.73 RAB9A (0.53) RAB9AALDH1A1HPGDSMN1; SMN2OPRD1
SCHEMBL11570366 0.72 RXRA (0.62) RAB9AALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL27484921 0.72 TSHR (0.51) ALDH1A1MAPTTSHRKMT2AKDM4E

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 13 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-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-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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (4 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 PDK1 3962/4885HSP90AA1 2103/4885PDK2 3450/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI PDK1 3960/4885HSP90AA1 1924/4885PDK2 3450/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PDK1 3960/4885HSP90AA1 1924/4885PDK2 3450/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PDK1 3962/4885HSP90AA1 2103/4885PDK2 3450/4885

“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.