SCHEMBL29304401

SCHEMBL29304401

Cc1ccc(OCCCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PPARA Q07869 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ NOS1 P29475 2/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL29304013 0.90 MAPT (0.39) KMT2AMAPT
SCHEMBL9545812 0.78 TDP1 (0.49) KMT2ATAAR1MAPT
SCHEMBL11420525 0.77 SCN8A (0.45) MAPT
SCHEMBL5541812 0.76 MAOB (0.48) MAOBKMT2AMEN1PPARAPPARD
SCHEMBL11417644 0.75 FFAR1 (0.55) MAOB
SCHEMBL22894152 0.74 PPARA (0.54) MAOBKMT2AMEN1PPARAPPARD
SCHEMBL29304165 0.74 MEN1 (0.44) KMT2AMEN1PPARAPPARD
SCHEMBL11959864 0.73 TAAR1 (0.52) MAOBKMT2AMEN1TAAR1
SCHEMBL506299 0.73 CHRNB2 (0.42) KMT2AMAPT
SCHEMBL3335244 0.72 MAPT (0.64) KMT2AMAPT

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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 — — 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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C MAOB 943/4885KMT2A 2619/4885MEN1 1307/4885

“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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