SCHEMBL1958699

SCHEMBL1958699

COc1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
LPO P22079 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CD74 P04233 1/20 0.46
MIF P14174 1/20 0.46
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CMA1 P23946 1/20 0.44
DPP4 P27487 1/20 0.44
USP2 O75604 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 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
SCHEMBL1961673 0.86 CYP11B1 (0.49) SIGMAR1KMT2AALDH1A1LMNAMEN1
SCHEMBL1960311 0.84 MAPT (0.48) KMT2AALDH1A1MEN1MAPTDPP4
SCHEMBL1411948 0.83 HPGDS (0.54) NR1H2NR1H3KMT2AALDH1A1LMNA
SCHEMBL1961666 0.82 NR1H2 (0.46) NR1H2NR1H3KMT2AALDH1A1LMNA
SCHEMBL1962139 0.81 CYP11B1 (0.48) NR1H2NR1H3KMT2ALMNAMEN1
SCHEMBL1958815 0.81 ALDH1A1 (0.49) NR1H2NR1H3SIGMAR1ALDH1A1LMNA
SCHEMBL1961113 0.81 NPC1 (0.49) KMT2AALDH1A1MAPTDPP4CYP3A4
SCHEMBL1959782 0.81 CYP19A1 (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1962574 0.78 ALDH1A1 (0.56) KMT2AALDH1A1LMNAMEN1USP2
SCHEMBL1958148 0.78 KDM4C (0.50) ALDH1A1LMNAKDM4EMAPTGPR55

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 15 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-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO 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 NR1H2 2716/4885NR1H3 2655/4885LPO 1994/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NR1H2 2225/4885NR1H3 2044/4885LPO 1135/4885

“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.