SCHEMBL1505622

SCHEMBL1505622

O=C(O)c1cnc(O)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.54
HCAR2 Q8TDS4 4/20 0.48
POLB P06746 1/20 0.48
P4HA1 P13674 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
MIF P14174 1/20 0.45
MGAM O43451 1/20 0.43
TPMT P51580 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL29878417 1.00 TTR (0.54) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL9865820 0.82 TTR (0.38) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL9195951 0.82 CA5A (0.40) TTRP4HA1P4HTMMIFTPMT
SCHEMBL487368 0.81 HCAR2 (0.50) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL30792836 0.81 HCAR2 (0.50) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL28345746 0.79 HCAR2 (0.48) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL31527392 0.79 HCAR2 (0.48) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL27751624 0.78 KDM4E (0.50) HCAR2POLBP4HA1P4HTMMIF
SCHEMBL487804 0.78 HCAR2 (0.47) TTRHCAR2POLBP4HA1P4HTM
SCHEMBL31276895 0.78 KMT2A (0.52) TTRHCAR2POLBP4HA1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701667-A1 TROP2 BINDERS AND CONJUGATES THEREOF Merck Sharp & Dohme LLC (US) 2026-03-04 EP disclosed
EP-4637748-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-29 EP disclosed
EP-4633681-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-10-22 EP disclosed
WO-2024226410-A1 TROP2 BINDERS AND CONJUGATES THEREOF MERCK SHARP & DOHME LLC (US) 2024-10-31 WO disclosed
US-20240358847-A1 TROP2 BINDERS AND CONJUGATES THEREOF MERCK SHARP & DOHME LLC (US) 2024-10-31 US disclosed
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 WO disclosed
WO-2024129628-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-20 WO disclosed
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
US-7229999-B2 Pyridine-3-carboxamide derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-06-12 US disclosed
US-7229999-B2 Pyridine-3-carboxamide derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-06-12 US disclosed
US-6710048-B2 SELECTIVE INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE; TO TREAT SOLID-TUMOR CANCERS, ANGIOGENESIS, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS, ENDOMETRIOSIS AND PSORIASIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-23 US disclosed
EP-1330452-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP disclosed
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-27 US disclosed
WO-2002024681-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO disclosed
US-4990620-A Halogen substituted pyridylalkyl ketones BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4927938-A Halogen substituted pyridylalkyl ketones BAYER AKTIENGESELLSCHAFT (DE) 1990-05-22 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 (4 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-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR TTR 613/4885HCAR2 222/4885POLB 4528/4885
US-20240358847-A1 TROP2 BINDERS AND CONJUGATES THEREOF TPM3, TPM4, CD2BP2 TTR 158/4885HCAR2 2156/4885POLB 3792/4885
US-20240207425-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF AURKA, AURKC, AURKB TTR 4558/4885HCAR2 676/4885POLB 3814/4885
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases FLT1, FLT4, KDR TTR 3421/4885HCAR2 610/4885POLB 3483/4885

“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.