SCHEMBL4290674

SCHEMBL4290674

O=C1CSc2ccc(C(=O)CC(=O)C(F)(F)F)cc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ LMNA P02545 2/20 0.60
▸ HPGD P15428 2/20 0.55
▸ POLB P06746 3/20 0.53
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 5/20 0.47
▸ PKM P14618 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PLOD2 O00469 1/20 0.44

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
SCHEMBL2204998 0.80 HTT (0.69) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL9730975 0.78 HTT (0.70) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL30270528 0.77 HTT (1.00) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL23781330 0.77 HTT (0.77) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL619633 0.77 HTT (1.00) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL10863355 0.76 HTT (0.63) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL4286520 0.76 HTT (0.75) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL15176755 0.76 HTT (0.75) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL4294026 0.75 ALDH1A1 (0.67) ALDH1A1POLBMAPTPKM
SCHEMBL750896 0.75 ALDH1A1 (1.00) HTTALDH1A1LMNAHPGDPOLB

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 — — 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R HTT 3165/4885ALDH1A1 2708/4885LMNA 2152/4885

“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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