SCHEMBL558725

SCHEMBL558725

NCc1cc(F)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.44
LOXL2 Q9Y4K0 2/20 0.41
DPP4 P27487 3/20 0.40
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
TAAR1 Q96RJ0 4/20 0.35
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PKM P14618 1/20 0.34
HTR1A P08908 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL29556458 1.00 MPO (0.44) MPOLOXL2DPP4IDO1AGXT
Hydrochloric Acid SCHEMBL14157220 0.98 MPO (0.43) MPOLOXL2DPP4IDO1AGXT
SCHEMBL30814757 0.83 TAAR1 (0.52) MPODPP4IDO1AGXTTAAR1
SCHEMBL535214 0.83 TAAR1 (0.52) MPODPP4IDO1AGXTTAAR1
SCHEMBL3910128 0.82 MPO (0.44) MPOLOXL2DPP4IDO1AGXT
Hydrochloric Acid SCHEMBL18524413 0.81 TAAR1 (0.50) MPODPP4IDO1AGXTTAAR1
Hydrochloric Acid SCHEMBL856646 0.80 MPO (0.43) MPOLOXL2DPP4IDO1AGXT
SCHEMBL31021710 0.79 DPP4 (0.37) DPP4IDO1AGXTALDH1A1HTR2A
SCHEMBL156831 0.79 DPP4 (0.37) DPP4IDO1AGXTALDH1A1HTR2A
SCHEMBL29374861 0.79 DPP4 (0.37) DPP4IDO1AGXTALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568399-B1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS LLC (US) 2026-04-22 EP disclosed
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-12-04 US disclosed
US-12391695-B2 PRMT5 inhibitors LUPIN LIMITED (IN) 2025-08-19 US disclosed
EP-4536660-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2025-04-16 EP disclosed
US-20250074909-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-03-06 US disclosed
US-12157733-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-03 US disclosed
US-20240083888-A1 SMALL MOLECULE INHIBITOR FOR CATHEPSIN C AND MEDICINAL USE THEREOF REISTONE BIOPHARMA COMPANY LIMITED (CN) 2024-03-14 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 WO disclosed
EP-4257588-A1 SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF Reistone Biopharma Company Limited (CN) 2023-10-11 EP disclosed
CN-1671391-A Novel methods and compositions for pain relief ALLERGAN INC (US) 2005-09-21 CN disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
EP-1507536-A2 COMPOSITIONS AND THEIR USES FOR ALLEVIATING PAIN ALLERGAN, INC. (US) 2005-02-23 EP disclosed
US-20040132824-A1 Novel methods and compositions for alleviating pain ALLERGAN, INC. 2004-07-08 US disclosed
US-20030229088-A1 Novel methods and compositions for alleviating pain ALLERGAN, INC. 2003-12-11 US disclosed
WO-2003099289-A2 COMPOSITIONS AND THEIR USES FOR ALLEVIATING PAIN ALLERGAN, INC. (US) 2003-12-04 WO disclosed
WO-2003099289-A2 COMPOSITIONS AND THEIR USES FOR ALLEVIATING PAIN ALLERGAN, INC. (US) 2003-12-04 WO disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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 (8 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-12391695-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 MPO 1795/4885LOXL2 3592/4885DPP4 1358/4885
US-20030229088-A1 Novel methods and compositions for alleviating pain ADRA2A, ADRB2, ADRA2B MPO 1775/4885LOXL2 1226/4885DPP4 3315/4885
US-20040132824-A1 Novel methods and compositions for alleviating pain ADRA2A, ADRB2, ADRA2B MPO 1775/4885LOXL2 1226/4885DPP4 3315/4885
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN5A MPO 1521/4885LOXL2 4662/4885DPP4 2805/4885
US-20250074909-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS RIPK1, RIPK3, RIPK4 MPO 3804/4885LOXL2 2790/4885DPP4 1036/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 MPO 2900/4885LOXL2 3329/4885DPP4 3718/4885
US-20240083888-A1 SMALL MOLECULE INHIBITOR FOR CATHEPSIN C AND MEDICINAL USE THEREOF CTSF, CTSV, CTSB MPO 55/4885LOXL2 2340/4885DPP4 442/4885
US-12157733-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 MPO 3804/4885LOXL2 2790/4885DPP4 1036/4885

“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.