SCHEMBL1960189

SCHEMBL1960189

Clc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGDS O60760 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
PGR P06401 1/20 0.43
PHF8 Q9UPP1 1/20 0.41
CCR2 P41597 3/20 0.40
KMT2A Q03164 2/20 0.40
NR1I3 Q14994 2/20 0.40
ESR1 P03372 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1958372 0.87 KMT2A (0.42) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL1958116 0.86 SMN1; SMN2 (0.50) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL1961068 0.86 CYP11B1 (0.50) NPC1LMNARAB9ASMN1; SMN2HPGDS
SCHEMBL1411948 0.86 HPGDS (0.54) LMNARAB9ASMN1; SMN2HPGDSKMT2A
Hydrochloric Acid SCHEMBL1960818 0.85 SMN1; SMN2 (0.49) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL1958815 0.84 ALDH1A1 (0.49) NPC1LMNAHTTSMN1; SMN2HPGDS
SCHEMBL1959782 0.84 CYP19A1 (0.50) HPGDSKMT2ACYP2E1CYP3A4CYP2D6
SCHEMBL13548657 0.83 KCNH2 (0.48) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL1959643 0.82 SMN1; SMN2 (0.52) NPC1LMNARAB9ASMN1; SMN2HPGDS
SCHEMBL1959676 0.82 CYP11B1 (0.47) NPC1LMNARAB9ASMN1; SMN2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 607/4885LMNA 1843/4885HTT 3999/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NPC1 562/4885LMNA 1621/4885HTT 3554/4885

“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.