SCHEMBL25201540

SCHEMBL25201540

NCc1ccc(Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.42
▸ SERPINE1 P05121 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ IDH2 P48735 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL5017452 0.85 NOTUM (0.47) S1PR1NOTUMTRPV1TAAR1
SCHEMBL250634 0.85 NOTUM (0.47) S1PR1NOTUMTRPV1TAAR1
SCHEMBL25190452 0.80 ALDH1A1 (0.38) —
SCHEMBL25193451 0.79 KCNQ2 (0.38) —
SCHEMBL28027728 0.76 S1PR1 (0.50) S1PR1NOTUMTAAR1PIM1CDK4
SCHEMBL4449011 0.76 NOTUM (0.47) NOTUM
SCHEMBL24865518 0.75 S1PR1 (0.41) S1PR1TAAR1PIM1CDK4CCND3
SCHEMBL30336492 0.75 S1PR1 (0.41) S1PR1TAAR1PIM1CDK4CCND3
SCHEMBL25190432 0.74 MAPT (0.47) —
SCHEMBL13713426 0.74 S1PR1 (0.46) S1PR1SERPINE1NOTUMTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 — — CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — 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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 S1PR1 1951/4885SERPINE1 876/4885NOTUM 3581/4885

“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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