SCHEMBL1958995

SCHEMBL1958995

Clc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 4/20 0.38
EGFR P00533 1/20 0.38
MET P08581 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
CYP19A1 P11511 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL1961359 0.91 SMN1; SMN2 (0.40) HDAC1HDAC6NPC1ALDH1A1LMNA
SCHEMBL1959850 0.90 AHR (0.43) NPC1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1960207 0.88 AHR (0.39) NPC1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1959006 0.86 RAB9A (0.40) HDAC1HDAC6NPC1SMN1; SMN2CYP11B1
SCHEMBL1960628 0.86 CYP11B1 (0.37) LMNAHTTSMN1; SMN2EGFRMET
SCHEMBL1959831 0.86 CYP11B1 (0.42) HDAC1HDAC6NPC1LMNACYP11B1
SCHEMBL1962576 0.85 NR1H3 (0.47) NPC1ALDH1A1LMNASMN1; SMN2CYP11B1
SCHEMBL1961665 0.84 MGAM (0.43) NPC1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2347180 0.83 SMN1; SMN2 (0.37) HDAC1HDAC6SMN1; SMN2METCYP11B1
SCHEMBL1961666 0.83 NR1H2 (0.46) HDAC1HDAC6ALDH1A1LMNAHTT

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 12 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
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 HDAC1 139/4885HDAC6 332/4885NPC1 607/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE HDAC1 112/4885HDAC6 190/4885NPC1 562/4885

“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.