SCHEMBL61340

SCHEMBL61340

NC(=O)c1ccc(CBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
PLA2G10 O15496 1/20 0.57
PLA2G2A P14555 1/20 0.57
PARP10 Q53GL7 9/20 0.53
CYP17A1 P05093 1/20 0.48
PARP4 Q9UKK3 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP1 P09874 3/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48

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 SCHEMBL15021131 0.98 CES2 (0.55) CES2CES1PLA2G10PLA2G2APARP10
SCHEMBL8171618 0.92 PARP10 (0.55) CES2CES1PLA2G10PLA2G2APARP10
SCHEMBL4073172 0.82 PLA2G10 (0.53) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL35800 0.80 CES2 (0.61) CES2CES1KMT2AALDH1A1TSHR
SCHEMBL13679683 0.80 CES2 (0.83) CES2CES1KMT2AALDH1A1TSHR
SCHEMBL7134591 0.80 PLA2G10 (0.83) PLA2G10PLA2G2APARP10CYP17A1PARP4
SCHEMBL187134 0.80 CES2 (0.61) CES2CES1KMT2AALDH1A1TSHR
SCHEMBL9541276 0.80 CES2 (0.61) CES2CES1KMT2AALDH1A1TSHR
Terephthalamide SCHEMBL23774 0.79 PARP1 (0.71) PLA2G10PLA2G2APARP10PARP4KMT2A
SCHEMBL29222811 0.79 PLA2G10 (0.50) PLA2G10PLA2G2APARP10CYP17A1PARP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218890-B Five-membered non-aromatic ring pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2020-03-27 CN claimed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 US claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 US claimed
CN-1229580-A Fungicidal compositions containing N-acetonylbenzamides ROHM & HAAS (US) 1999-09-29 CN claimed
CN-1228255-A Fungicidal compositions containing N-acetonylbenzamides ROHM & HAAS (US) 1999-09-15 CN claimed
US-12559454-B2 Benzenesulfonamide derivatives and uses thereof 2692372 ONTARIO, INC. (CA) 2026-02-24 US disclosed
EP-3860636-B1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE INC (US) 2026-01-28 EP disclosed
WO-2025226892-A1 SPIROCYCLE-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-10-30 WO disclosed
US-12428415-B2 Matriptase 2 inhibitors and uses thereof DISC MEDICINE, INC. (US) 2025-09-30 US disclosed
WO-2025129168-A1 TRIAZOLONE INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 WO disclosed
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-01-04 US disclosed
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
US-5254679-A Containing a quaternized nitrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
US-5049558-A Quaternized nitrogen-heterocycle substituted IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed
EP-0164944-B1 CEPHALOSPORIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-11 EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 EP disclosed
US-3931268-A Methylhydrazinomethyl-substituted benzoic acid amides HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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 (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-12428415-B2 Matriptase 2 inhibitors and uses thereof MMP7, MATR3, SPINT2 CES2 1404/4885CES1 547/4885PLA2G10 2008/4885
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT CES2 1094/4885CES1 1864/4885PLA2G10 4524/4885
US-12559454-B2 Benzenesulfonamide derivatives and uses thereof NR2E1, NR2C2, NR3C1 CES2 2247/4885CES1 506/4885PLA2G10 4356/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 CES2 1975/4885CES1 162/4885PLA2G10 1460/4885
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS PEBP1, ALOX15, ALOX15B CES2 3138/4885CES1 1225/4885PLA2G10 319/4885
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT CES2 1094/4885CES1 1864/4885PLA2G10 4524/4885

“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.