SCHEMBL6507429

SCHEMBL6507429

NCC(=O)Cc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
MAPK8 P45983 1/20 0.44
IDO1 P14902 2/20 0.44
PARP10 Q53GL7 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GLS O94925 1/20 0.39
RIPK1 Q13546 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
Hydrochloric Acid SCHEMBL16148925 0.98 TAAR1 (0.48) TAAR1CA12CA1CA2CA9
SCHEMBL1449282 0.87 CA12 (0.47) TAAR1CA12CA1CA2CA9
SCHEMBL20696473 0.81 CA12 (0.44) TAAR1CA12CA1CA2CA9
SCHEMBL18620834 0.80 RIPK1 (0.46) TAAR1CA12CA1CA2CA9
SCHEMBL3015889 0.80 CA12 (0.43) TAAR1CA12CA1CA2CA9
SCHEMBL29197312 0.80 CTBP2 (0.51) TAAR1MAPK8ALDH1A1KMT2ANPC1
SCHEMBL1395809 0.79 MAPK8 (0.50) TAAR1CA12CA1CA2CA9
SCHEMBL1778391 0.79 CA12 (0.47) TAAR1CA12CA1CA2CA9
SCHEMBL286410 0.77 AKR1B1 (0.61) TAAR1CA12CA1CA2CA9
SCHEMBL6963978 0.77 CA12 (0.46) TAAR1CA12CA1CA2CA9

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
US-9663536-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-05-30 US disclosed
US-9663536-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-05-30 US disclosed
EP-2970301-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-01-11 EP disclosed
US-20160002263-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-07 US disclosed
US-20160002263-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-07 US disclosed
WO-2014164428-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 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 (1 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-20160002263-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, EFTUD2, SARS1 TAAR1 4882/4885CA12 4797/4885CA1 4810/4885

“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.