SCHEMBL25254061

SCHEMBL25254061

Nc1c(OCC(F)F)ccnc1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ PDE8A O60658 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
SCHEMBL30068221 0.77 HPGD (0.55) HPGDSMN1; SMN2MAPT
SCHEMBL2039823 0.76 IKBKB (0.41) HPGDSMN1; SMN2MAPT
SCHEMBL25791866 0.75 S1PR4 (0.46) SMN1; SMN2MAPT
SCHEMBL25212692 0.73 MBOAT4 (0.33) MBOAT4HTR2AHTR2CHTR2B
SCHEMBL16702619 0.70 AOC1 (0.40) MAPTGSK3BHTR2AHTR2CHTR2B
SCHEMBL30723547 0.70 SCN9A (0.38) MAPTGSK3BPDE8A
SCHEMBL28247334 0.69 HPGD (0.39) MBOAT4HPGDSMN1; SMN2PDE8A
SCHEMBL22234884 0.68 LTA4H (0.54) SMN1; SMN2MAPT
SCHEMBL22235500 0.66 HTT (0.46) SMN1; SMN2MAPTHTR2AHTR2CHTR2B
SCHEMBL23268358 0.64 KMT2A (0.47) HPGDSMN1; SMN2MAPT

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
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 — — EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 — — EP disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 — — US disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP 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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 MBOAT4 3260/4885HPGD 120/4885SMN1; SMN2 483/4885

“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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