SCHEMBL1046207

SCHEMBL1046207

Brc1cccc2c[nH]cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
SLC9A1 P19634 2/20 0.39
NOS1 P29475 2/20 0.38
AXL P30530 1/20 0.38
BACE1 P56817 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PARP1 P09874 1/20 0.36
DYRK1A Q13627 1/20 0.33
PRNP P04156 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 1/20 0.32
FLT3 P36888 1/20 0.32
PTPN1 P18031 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
TYMS P04818 1/20 0.31

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
SCHEMBL2008963 0.71
SCHEMBL3819753 0.71
SCHEMBL30478908 0.71 CA12 (0.36) SLC9A1CA12CA9MEN1GAA
SCHEMBL5757118 0.71 ALDH1A1 (0.52) PARP1MEN1GAAKMT2ATYMS
SCHEMBL276979 0.71 MEN1 (0.33) MEN1KMT2APTPN1
SCHEMBL23468415 0.71 NOS1 (0.38) NOS1DYRK1ATYMS
Hydrochloric Acid SCHEMBL27934211 0.70 CYP1A2 (0.50) CA12CA9PARP1MEN1KMT2A
Bromide SCHEMBL8507879 0.70 CYP1A2 (0.50) CA12CA9PARP1MEN1KMT2A
SCHEMBL69629 0.69 ALDH1A1 (0.53) BACE1CA9PARP1
SCHEMBL29405063 0.69 ALDH1A1 (0.53) BACE1CA9PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676785-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-06-13 US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 US disclosed
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-01-29 US disclosed
US-20140323465-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2014-10-30 US disclosed
US-8778877-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2014-07-15 US disclosed
US-8741837-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-03 US disclosed
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-01-17 US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 US disclosed
WO-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO disclosed
EP-2237666-A1 HCV PROTEASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-10-13 EP disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
WO-2009082701-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 WO disclosed
US-6265408-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANT SMITHKLINE BEECHAM PLC (GB) 2001-07-24 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 (6 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-20140323465-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC AHR 2697/4885SLC9A1 4549/4885NOS1 3304/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC AHR 2697/4885SLC9A1 4549/4885NOS1 3304/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC AHR 2697/4885SLC9A1 4549/4885NOS1 3304/4885
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC AHR 2697/4885SLC9A1 4549/4885NOS1 3304/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC AHR 2697/4885SLC9A1 4549/4885NOS1 3304/4885
US-20130017991-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC AHR 2697/4885SLC9A1 4549/4885NOS1 3304/4885

“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.