SCHEMBL1959006

SCHEMBL1959006

Cc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 2/20 0.39
TEK Q02763 4/20 0.38
KDR P35968 3/20 0.38
EPHB4 P54760 1/20 0.38
NPC1 O15118 4/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL2364086 0.93 CYP11B1 (0.38) RAB9AHDAC6HDAC1SMN1; SMN2MAPK1
SCHEMBL2351143 0.89 ADORA2A (0.45) RAB9AHDAC6HDAC1SMN1; SMN2TDP1
SCHEMBL1959850 0.89 AHR (0.43) RAB9ASMN1; SMN2KMT2ANPC1TSHR
SCHEMBL1958995 0.86 HDAC1 (0.38) HDAC6HDAC1SMN1; SMN2KMT2ATEK
SCHEMBL1960628 0.85 CYP11B1 (0.37) SMN1; SMN2KMT2AKDRCYP11B1CYP11B2
SCHEMBL1959831 0.85 CYP11B1 (0.42) RAB9AHDAC6HDAC1NPC1CYP11B1
SCHEMBL2347180 0.85 SMN1; SMN2 (0.37) HDAC6HDAC1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL1961666 0.85 NR1H2 (0.46) HDAC6HDAC1MAPK1KMT2ATSHR
SCHEMBL1958857 0.85 AHR (0.42) RAB9ASMN1; SMN2MAPK1KMT2ANPC1
SCHEMBL1962576 0.84 NR1H3 (0.47) RAB9ASMN1; SMN2KMT2AKDRNPC1

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 11 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
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
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 RAB9A 1537/4885HDAC6 332/4885HDAC1 139/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE RAB9A 2520/4885HDAC6 190/4885HDAC1 112/4885

“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.