SCHEMBL31212182

SCHEMBL31212182

O=C1Nc2cc(Br)ccc2C(=O)C1(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ S100A4 P26447 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP2 O95551 1/20 0.39
▸ HTR6 P50406 2/20 0.37
▸ PTPRC P08575 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ AKR1A1 P14550 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL17942114 1.00 CA1 (0.43) CA1CA2CA4CA7CA9
SCHEMBL8141594 0.81 CES1 (0.55) TGM2CES1S100A4CMA1AHR
SCHEMBL17941991 0.80 CA1 (0.42) CA1CA2CA4CA7CA9
SCHEMBL31212236 0.80 CA1 (0.42) CA1CA2CA4CA7CA9
SCHEMBL8127618 0.75 MAPT (0.57) S100A4ALDH1A1KDM4EMAPTMEN1
SCHEMBL19931150 0.74 TGM2 (0.59) CA1CA2CA4CA7CA9
SCHEMBL25986169 0.71 CA1 (0.41) CA1CA2CA4CA7CA9
SCHEMBL13058804 0.71 TGM2 (0.55) CA1CA2CA4CA7CA9
SCHEMBL8557 0.71 CES1 (0.71) TGM2CES1S100A4CMA1AHR
SCHEMBL11920847 0.71 CES1 (0.50) CA1CA2CA4CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA THERAPEUTICS, INC. 2025-05-08 — — US disclosed
CN-118974019-A Certain chemical entities, compositions and methods 瑞图恩制药公司 2024-11-15 — — CN 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 (1 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-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS IGF1R, IGFBP1, IGFBP2 CA1 4397/4885CA2 2504/4885CA4 4334/4885

“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.

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