SCHEMBL5021036

SCHEMBL5021036

Brc1cc(C(Br)Br)c(C(Br)Br)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
APEX1 P27695 1/20 0.30

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
SCHEMBL1264442 0.81
SCHEMBL328794 0.76 TDP1 (0.40) AHRAPEX1
SCHEMBL28651893 0.70 MAPT (0.43) APEX1
SCHEMBL10831166 0.69 P2RX7 (0.32)
SCHEMBL1304745 0.69 CYP2A6 (0.37) AHR
SCHEMBL29682017 0.69 CYP2A6 (0.37) AHR
SCHEMBL29702023 0.69 GABRA1 (0.48) AHR
SCHEMBL30861902 0.69 AHR (0.35) AHR
SCHEMBL18135450 0.69 GABRA1 (0.48) AHR
SCHEMBL11578830 0.68 APEX1 (0.31) APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2202864-A None JP disclosed
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-07-04 US disclosed
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-07-04 US disclosed
US-20230125359-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-04-27 US disclosed
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-8927526-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2015-01-06 US disclosed
US-8927526-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2015-01-06 US disclosed
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2013-10-24 US disclosed
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2013-10-24 US disclosed
US-8481742-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2013-07-09 US disclosed
US-8481742-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2013-07-09 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-8168815-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2012-05-01 US disclosed
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2010-01-28 US disclosed
JP-H02202864-A 2,3-DICYANO-6-NAPHTHYLMETHANOL DERIVATIVE AND PRODUCTION THEREOF HITACHI LTD 1990-08-10 JP 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-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS PTPRF, PTPRJ, PTPRCAP AHR 1623/4885APEX1 3288/4885
US-20230125359-A1 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, UBE2D3, MDM2 AHR 720/4885APEX1 79/4885
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, MDM2, UBE2D3 AHR 955/4885APEX1 80/4885
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP AHR 1497/4885APEX1 2862/4885
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP AHR 1497/4885APEX1 2862/4885
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP AHR 1497/4885APEX1 2862/4885

“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.