SCHEMBL29976038

SCHEMBL29976038

Cc1cc(-c2cc(F)c(=O)n(CC3CCCCC3)c2)nc([S+]([O-])CCC(OCc2ccc(F)cc2F)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ GNRHR P30968 1/20 0.30

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
SCHEMBL20985661 1.00 BRD4 (0.35) BRD4HTR2AHTR2CSLC6A4GNRHR
SCHEMBL19806101 0.93 PDE2A (0.33) BRD4
SCHEMBL29976568 0.93 PDE2A (0.33) BRD4
SCHEMBL19805938 0.87 BRD4 (0.34) BRD4HTR2AHTR2CSLC6A4GNRHR
SCHEMBL20985727 0.86 BRD4 (0.36) BRD4HTR2AHTR2CSLC6A4GNRHR
SCHEMBL29976175 0.83 MAPK14 (0.32) GNRHR
SCHEMBL19805939 0.83 MAPK14 (0.32) GNRHR
SCHEMBL23503847 0.82 BRD4 (0.36) BRD4HTR2AHTR2CSLC6A4GNRHR
SCHEMBL19806095 0.81 SDHB (0.35) —
SCHEMBL29975734 0.81 SDHB (0.35) —

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-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — 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-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB BRD4 1441/4885HTR2A 3517/4885HTR2C 3835/4885

“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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