SCHEMBL5204894

SCHEMBL5204894

COC(=O)C1=Cc2cc(Br)ccc2CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.37
CA12 O43570 8/20 0.36
CA9 Q16790 8/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.35
PRKCZ Q05513 1/20 0.35
CA2 P00918 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B3 P37058 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL10529566 0.91 HSD17B3 (0.38) NR4A2CA12CA9L3MBTL1MAPT
SCHEMBL7216486 0.84 CA12 (0.41) CA12CA9NPC1RAB9AATM
SCHEMBL7218351 0.83 CA12 (0.52) CA12CA9NPC1RAB9AATM
SCHEMBL7616077 0.82 ALDH1A1 (0.42) NPC1RAB9AMAPTALDH1A1HSP90AA1
SCHEMBL7712649 0.81 RAB9A (0.46) CA12CA9NPC1RAB9AATM
SCHEMBL7714645 0.80 PNMT (0.40) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL12913025 0.79 CA12 (0.40) NR4A2CA12CA9L3MBTL1SLC6A3
SCHEMBL7378104 0.79 CA12 (0.48) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL3459411 0.79 GAA (0.38) NR4A2CA12CA9MAPTSLC6A3
SCHEMBL3459409 0.79 GAA (0.38) NR4A2CA12CA9MAPTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604024-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-05-23 US disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
WO-2012162330-A1 TRICYCLIC COMPOUNDS AS INHIBITORS FOR THE PRODUCTION OF BETA-AMYLOID BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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-20130131051-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, SCN2B NR4A2 13/4885CA12 1317/4885CA9 2855/4885

“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.