SCHEMBL1961887

SCHEMBL1961887

Brc1ccc(CN2C=Cc3[nH]c(Cc4ccccc4)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.39
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR2C P28335 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRIN2B Q13224 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1959835 0.90 CLPP (0.38) CLPPGAAALDH1A1LMNAKDM4E
SCHEMBL1959748 0.88 CLPP (0.37) CLPPGAAALDH1A1LMNAKDM4E
SCHEMBL1962393 0.88 CLPP (0.37) CLPPGAAALDH1A1LMNAKDM4E
SCHEMBL1962303 0.85 RAB9A (0.44) CLPPALDH1A1LMNAKDM4EKMT2A
SCHEMBL1962289 0.84 NPC1 (0.38) CLPPGAAALDH1A1LMNAKDM4E
SCHEMBL1960359 0.84 NPC1 (0.35) CLPPALDH1A1KDM4EGALR3NR2F2
SCHEMBL1962577 0.82 MAPK13 (0.39) CLPPGAAALDH1A1LMNAKDM4E
SCHEMBL1959602 0.81 HTR2C (0.39) GAAKDM4EHTR2CGRIN2BKMT2A
SCHEMBL1959641 0.79 NPC1 (0.40) CLPPALDH1A1LMNAKDM4EKMT2A
SCHEMBL1962298 0.79 CXCR2 (0.37) CLPPGAAALDH1A1LMNAKDM4E

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
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

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 CLPP 2023/4885GAA 864/4885ALDH1A1 2022/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CLPP 1682/4885GAA 79/4885ALDH1A1 2105/4885

“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.