SCHEMBL1960083

SCHEMBL1960083

C(=C/c1ccccc1)\Cn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
TBXAS1 P24557 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP2D6 P10635 3/20 0.37
HTR1A P08908 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL1960086 1.00 LMNA (0.37) LMNATBXAS1SMN1; SMN2NPC1RAB9A
SCHEMBL1962567 0.77 ADORA3 (0.36) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL1960975 0.75 L3MBTL1 (0.41) LMNASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL1411948 0.74 HPGDS (0.54) LMNATBXAS1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL6432294 0.72 ADORA1 (0.47) LMNASMN1; SMN2NPC1RAB9ATDP1
SCHEMBL1961068 0.72 CYP11B1 (0.50) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL1958693 0.70 ADORA3 (0.42) TBXAS1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL1958384 0.70 NR1H3 (0.38) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2348026 0.70 HPGDS (0.46) LMNATBXAS1TDP1CYP3A4CYP2D6
SCHEMBL1958116 0.70 SMN1; SMN2 (0.50) LMNASMN1; SMN2NPC1RAB9ATDP1

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-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 LMNA 1843/4885TBXAS1 2353/4885SMN1; SMN2 3179/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE LMNA 1621/4885TBXAS1 2784/4885SMN1; SMN2 3260/4885

“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.