SCHEMBL515528

SCHEMBL515528

O=[C]Nc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TGM2 P21980 2/20 0.39
IDO1 P14902 1/20 0.39
CA12 O43570 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
F13A1 P00488 1/20 0.39
LMNA P02545 1/20 0.39
TGM1 P22735 1/20 0.39
TGM3 Q08188 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
SCHEMBL7789704 0.86 MEN1 (0.32) MEN1KMT2ALMNA
SCHEMBL428216 0.76 MEN1 (0.48) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL1712020 0.74 MAPT (0.46) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL225711 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TGM2IDO1
SCHEMBL3083945 0.74 CYP2A6 (0.42) MEN1KMT2ACA1CA2CYP2A6
SCHEMBL3189362 0.74 CYP2A6 (0.42) MEN1KMT2ACA1CA2CYP2A6
SCHEMBL1486303 0.74 NPC1 (0.43) MEN1KMT2ACA1CA2CYP2A6
SCHEMBL1318227 0.74 ALDH1A1 (0.44) MEN1KMT2ACA1CA2MAOA
SCHEMBL5537273 0.74 TSHR (0.43) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL2095171 0.74 CA1 (0.43) CA1CA2IDO1CA12MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843283-A Urea derivative 第一三共株式会社 2019-06-04 CN claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-110279684-B Use of formyl peptide receptor 2 agonists for the treatment of ocular inflammatory diseases 阿勒根公司 2023-02-28 CN disclosed
EP-3795148-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING OCULAR INFLAMMATORY DISEASES ALLERGAN, INC. (US) 2021-03-24 EP disclosed
US-10899780-B2 Use of agonists of formyl peptide receptor 2 for treating ocular inflammatory diseases ALLERGAN, INC. (US) 2021-01-26 US disclosed
US-20210008085-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING DERMATOLOGICAL DISEASES ALLERGAN INC (US) 2021-01-14 US disclosed
US-20210000846-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING DERMATOLOGICAL DISEASES ALLERGAN INC (US) 2021-01-07 US disclosed
US-4232030-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-04 US disclosed
US-4194047-A Substituted N-methylene derivatives of thienamycin MERCK & CO., INC. (US) 1980-03-18 US disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed
US-4140860-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-20 US disclosed
US-4119668-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1978-10-10 US disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 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 (3 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-20210008085-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING DERMATOLOGICAL DISEASES FPR2, FPR1, FPR3 MEN1 4375/4885KMT2A 4486/4885CA1 4828/4885
US-20210000846-A1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING DERMATOLOGICAL DISEASES FPR2, FPR1, FPR3 MEN1 4375/4885KMT2A 4486/4885CA1 4828/4885
US-10899780-B2 Use of agonists of formyl peptide receptor 2 for treating ocular inflammatory diseases FPR2, FPR1, FPR3 MEN1 4240/4885KMT2A 4567/4885CA1 4558/4885

“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.