SCHEMBL939425

SCHEMBL939425

Fc1cc(CN2CCCC2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
CXCR4 P61073 1/20 0.50
HRH3 Q9Y5N1 2/20 0.48
PRMT6 Q96LA8 1/20 0.46
POLB P06746 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL6971182 0.84 LOXL2 (0.44) ALDH1A1HTTSMN1; SMN2LOXL2CXCR4
SCHEMBL6979875 0.81 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2POLBKDM4E
SCHEMBL7832524 0.81 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2POLBKDM4E
SCHEMBL31669110 0.79 SMN1; SMN2 (0.54) ALDH1A1HTTSMN1; SMN2LOXL2CXCR4
SCHEMBL15260364 0.79 SMN1; SMN2 (0.53) ALDH1A1HTTSMN1; SMN2CXCR4HRH3
SCHEMBL937589 0.79 SMN1; SMN2 (0.54) ALDH1A1HTTSMN1; SMN2LOXL2CXCR4
SCHEMBL8739651 0.79 NOS3 (0.52) ALDH1A1HTTSMN1; SMN2CXCR4HRH3
SCHEMBL14456680 0.78 L3MBTL1 (0.53) ALDH1A1HRH3KDM4E
SCHEMBL7606866 0.77 SMN1; SMN2 (0.57) ALDH1A1HTTSMN1; SMN2LOXL2CXCR4
SCHEMBL2234926 0.77 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2CXCR4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885HTT 4622/4885SMN1; SMN2 1851/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885HTT 4622/4885SMN1; SMN2 1851/4885

“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.