SCHEMBL2297146

SCHEMBL2297146

O=[N+]([O-])/C=C/c1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
FBP1 P09467 8/20 0.53
TLR4 O00206 2/20 0.53
TLR2 O60603 2/20 0.53
HSD11B1 P28845 1/20 0.50
PRMT1 Q99873 1/20 0.47
VCP P55072 1/20 0.46
HSP90AA1 P07900 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ATM Q13315 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.43
NTSR1 P30989 1/20 0.43
CCR6 P51684 1/20 0.43
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL29742372 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2HSD11B1
SCHEMBL2297149 1.00 RXRA (0.58) RXRAFBP1TLR4TLR2HSD11B1
SCHEMBL1805953 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL31627766 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL17533439 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL1805948 0.82 RXRA (0.51) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL2118553 0.79 RXRA (0.49) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL2118550 0.79 RXRA (0.49) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL20562851 0.78 RXRA (0.60) RXRAFBP1TLR4TLR2PRMT1
SCHEMBL20562847 0.78 RXRA (0.60) RXRAFBP1TLR4TLR2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490567-A1 The use of halogen-containing organic stabilizers for 3-isothiazolones ROHM AND HAAS COMPANY (US) 1992-06-17 EP claimed
JP-4217605-A None JP disclosed
JP-3232802-A None JP disclosed
US-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-11535628-B2 Method for preparation of Asenapine ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2022-12-27 US disclosed
CN-113105401-B 1, 2, 3-triazole derivative and preparation method and application thereof 山东师范大学 2022-07-22 CN disclosed
EP-4015519-A1 METHOD OF PREPARING ASENAPINE Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-06-22 EP disclosed
CN-113105401-A 1, 2, 3-triazole derivative and preparation method and application thereof 山东师范大学 2021-07-13 CN disclosed
CN-112409408-A Chiral phosphorus sulfur compound and Michael addition method thereof 深圳湾实验室坪山生物医药研发转化中心 2021-02-26 CN disclosed
US-20210047339-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2021-02-18 US disclosed
EP-1109745-A1 METHOD AND COMPOSITION FOR INHIBITING GROWTH OF MICROORGANISMS INCLUDING PERACETIC ACID AND A NON-OXIDIZING BIOCIDE NALCO CHEMICAL COMPANY (US) 2001-06-27 EP disclosed
WO-1999065827-A1 METHOD AND COMPOSITION FOR INHIBITING GROWTH OF MICROORGANISMS INCLUDING PERACETIC ACID AND A NON-OXIDIZING BIOCIDE NALCO CHEMICAL COMPANY (US) 1999-12-23 WO disclosed
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP disclosed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed
US-5142058-A For metal working fluids and latex paints ROHM AND HAAS COMPANY (US) 1992-08-25 US disclosed
JP-H04217605-A ANTIBACTERIAL AND ANTIFUNGAL AGENT FOR INDUSTRIAL USE KURITA WATER IND LTD 1992-08-07 JP disclosed
EP-0490567-A1 The use of halogen-containing organic stabilizers for 3-isothiazolones ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0487870-A2 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-03 EP disclosed
JP-H03232802-A INDUSTRIAL GERMICIDE AND BACTERIOSTATIC AGENT KATAYAMA CHEM WORKS CO LTD 1991-10-16 JP 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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR RXRA 4508/4885FBP1 3205/4885TLR4 4771/4885
US-11535628-B2 Method for preparation of Asenapine CYP3A5, QDPR, SPR RXRA 4508/4885FBP1 3205/4885TLR4 4771/4885
US-20210047339-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR RXRA 4508/4885FBP1 3205/4885TLR4 4771/4885

“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.