SCHEMBL31089799

SCHEMBL31089799

O=c1cc(-c2ccc(F)cc2Cl)c2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ NQO1 P15559 1/20 0.46
▸ GRM2 Q14416 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ KCNA3 P22001 1/20 0.43
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ GABRA4 P48169 2/20 0.42
▸ GABRE P78334 2/20 0.42
▸ GABRA6 Q16445 2/20 0.42
▸ GABRG1 Q8N1C3 2/20 0.42

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
SCHEMBL28227416 0.83 CA12 (0.70) CA12CA9NQO1CA1KCNA3
SCHEMBL31089772 0.82 ALDH1A1 (0.50) CA12CA9NQO1CA1KCNA3
SCHEMBL30228226 0.82 CA12 (0.69) CA12CA9ALDH1A1LMNAHPGD
SCHEMBL20839408 0.82 CA12 (0.69) CA12CA9ALDH1A1LMNAHPGD
SCHEMBL30228177 0.82 KDM4E (0.49) CA12CA9GRM2CA1KCNA3
SCHEMBL30227956 0.82 CA12 (0.48) CA12CA9GRM2KCNA3GABRP
SCHEMBL30228096 0.82 CA12 (0.48) CA12CA9KCNA3ALDH1A1LMNA
SCHEMBL20839160 0.81 CA12 (0.41) CA12CA9GRM2KCNA3ALDH1A1
SCHEMBL5396825 0.80 NQO1 (0.67) CA12CA9NQO1CA1ALDH1A1
SCHEMBL30228063 0.80 CA12 (0.46) CA12CA9GRM2KCNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240252454-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION LEAD DISCOVERY CENTER GMBH (DE) 2024-08-01 — — 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 (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-20240252454-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION TFAM, POLRMT, TUFM CA12 4503/4885CA9 4138/4885NQO1 679/4885

“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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