SCHEMBL30026257

SCHEMBL30026257

FC(F)(F)Oc1ccccc1-c1ccc2[nH]cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.57
▸ SCN9A Q15858 11/20 0.51
▸ ALOX5AP P20292 2/20 0.47
▸ FEN1 P39748 2/20 0.47
▸ QPCT Q16769 2/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ ABL1 P00519 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL13373325 0.82 IDO1 (0.49) ALOX5APFEN1QPCTQPCTLCYP3A4
SCHEMBL30026100 0.81 ALOX5AP (0.47) TRPA1ALOX5APFEN1QPCTQPCTL
SCHEMBL30025849 0.79 QPCT (0.43) TRPA1SCN9AALOX5APFEN1QPCT
SCHEMBL13373341 0.77 QPCT (0.51) TRPA1ALOX5APFEN1QPCTQPCTL
SCHEMBL5679610 0.76 TRPA1 (0.58) TRPA1SCN9AALOX5APFEN1ABL1
SCHEMBL27114186 0.75 SMO (0.45) QPCTABL1
SCHEMBL2359317 0.74 TRPA1 (0.56) TRPA1SCN9AALOX5APFEN1ABL1
SCHEMBL15916398 0.74 ALOX5AP (0.83) ALOX5APFEN1
SCHEMBL30026126 0.74 QPCTL (0.51) TRPA1ALOX5APFEN1QPCTQPCTL
SCHEMBL13373350 0.74 QPCT (0.51) TRPA1ALOX5APFEN1QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2025-01-07 — — US disclosed
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 — — US disclosed
US-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-11-29 — — 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-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof RORC, RORB, RORA TRPA1 1782/4885SCN9A 1601/4885ALOX5AP 3412/4885
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof RORC, RORB, RORA TRPA1 1700/4885SCN9A 1510/4885ALOX5AP 3450/4885
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof RORB, RORA, RORC TRPA1 1704/4885SCN9A 1577/4885ALOX5AP 3678/4885

“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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