SCHEMBL1028046

SCHEMBL1028046

COC(=O)c1ccc(CBr)c(CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
XDH P47989 1/20 0.52
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOTUM Q6P988 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL29559628 1.00 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL8451946 0.90 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL28360024 0.89 NPC1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL8906399 0.89 PPARG (0.47) CA1CA2CA12CA7CA9
SCHEMBL16938242 0.87 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL2065651 0.86 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL1040017 0.86 NOTUM (0.55) CA1CA2CA12CA7CA9
SCHEMBL11601201 0.86 KDM4E (0.57) CA1CA2CA12CA7CA9
SCHEMBL256770 0.86 NOTUM (0.51) CA1CA2CA12CA7CA9
SCHEMBL9479617 0.86 CA1 (0.49) CA1CA2CA12CA7CA9

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026103694-A1 HDAC INHIBITOR, AND PREPARATION AND USE THEREOF 赛岚(杭州)生物医药科技有限公司 2026-05-21 WO disclosed
US-12528767-B2 HDAC6 inhibitors and uses thereof EIKONIZO THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
EP-4653049-A2 CGRP ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2025-11-26 EP disclosed
EP-3983416-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
EP-3983417-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
US-12344621-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-07-01 US disclosed
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2025-05-01 US disclosed
EP-4536363-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS Nikang Therapeutics, Inc. (US) 2025-04-16 EP disclosed
US-12227521-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-02-18 US disclosed
US-12084445-B2 Broad-spectrum carbapenems VenatoRx Pharmaceuticals, Inc. (US) 2024-09-10 US disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 WO disclosed
US-6114390-A AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS KARL THOMAE GMBH (DE) 2000-09-05 US disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
US-5698580-A TREATING DISEASES CAUSED BY RESPIRATORY SYNCYTIAL VIRUS RATIONAL DRUG DESIGN LABORATORIES (JP) 1997-12-16 US disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed
EP-0770609-A1 ANTIVIRAL AGENT CONTAINING BENZODITHIIN DERIVATIVE AS ACTIVE INGREDIENT Rational Drug Design Laboratories (JP) 1997-05-02 EP disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP 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 (5 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-20250136616-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CA1 4183/4885CA2 2605/4885CA12 4565/4885
US-12227521-B2 CGRP antagonist compounds CALCRL, CALCR, OPRL1 CA1 4183/4885CA2 2605/4885CA12 4565/4885
US-12528767-B2 HDAC6 inhibitors and uses thereof HDAC6, HDAC1, HDAC11 CA1 222/4885CA2 1137/4885CA12 1309/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA CA1 3048/4885CA2 1536/4885CA12 4066/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI CA1 4530/4885CA2 2803/4885CA12 1062/4885

“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.