SCHEMBL6207977

SCHEMBL6207977

O=C(c1ccc(N2CCOCC2)cc1)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.59
PIK3CD O00329 1/20 0.59
PIK3CA P42336 1/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59
HPGD P15428 6/20 0.59
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TP53 P04637 5/20 0.56
RAB9A P51151 5/20 0.56
TSHR P16473 3/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 3/20 0.55
CASP1 P29466 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 7/20 0.55
MAPT P10636 6/20 0.55

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
SCHEMBL7483823 0.85 PRKDC (0.74) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10690677 0.84 PRKDC (0.64) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL50238 0.81 SMN1; SMN2 (0.74) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2742813 0.81 NPC1 (0.66) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23014197 0.79 GSK3B (0.51) HPGDNPC1SMN1; SMN2TP53RAB9A
SCHEMBL9827103 0.79 PRKDC (0.55) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10759830 0.79 CES2 (0.62) HPGDNPC1TP53RAB9ATSHR
SCHEMBL14982101 0.76 NPC1 (0.76) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14982132 0.74 ALDH1A1 (0.61) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20643538 0.74 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250945-A1 Triazine compounds as inhibitors of bacterial type III protein secretion systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 US disclosed
US-6881850-B2 Heterocyclically annellated indenochromene derivatives RODENSTOCK GMBH (DE) 2005-04-19 US disclosed
EP-1144416-B1 HETEROCYCLICALLY ANELLATED INDENOCHROMENE DERIVATIVES RODENSTOCK GMBH (DE) 2005-03-02 EP disclosed
US-20040092743-A1 Heterocyclically annellated indenochromene derivatives OPTISCHE WERKE G. RODENSTOCK 2004-05-13 US disclosed
US-6660727-B1 Photochromic heterocyclically anellated indenochromene compounds RODENSTOCK GMBH (DE) 2003-12-09 US disclosed
EP-1144416-A1 HETEROCYCLICALLY ANELLATED INDENOCHROMENE DERIVATIVES Optische Werke G. Rodenstock (DE) 2001-10-17 EP disclosed
WO-2001034609-A1 HETEROCYCLICALLY ANELLATED INDENOCHROMENE DERIVATIVES OPTISCHE WERKE G. RODENSTOCK (DE) 2001-05-17 WO 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-20040092743-A1 Heterocyclically annellated indenochromene derivatives ALDH1A2, INF2, CYP1B1 PRKDC 4262/4885PIK3CD 1798/4885PIK3CA 886/4885
US-20050250945-A1 Triazine compounds as inhibitors of bacterial type III protein secretion systems PSMB5, GTF3C3, GTF3C5 PRKDC 2652/4885PIK3CD 1746/4885PIK3CA 2653/4885

“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.