SCHEMBL24997637

SCHEMBL24997637

CC(C)c1ccc(Cl)c2c(NC(=O)C(F)(F)F)nn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CHUK O15111 1/20 0.38
▸ S1PR2 O95136 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL16006445 0.88 PDK1 (0.33) KMT2AMAPTNPC1RAB9AS1PR2
SCHEMBL19788777 0.85 ALDH1A1 (0.41) KMT2AMAPTNPC1RAB9AS1PR2
SCHEMBL16006518 0.84 MAPT (0.44) KMT2AMAPTNPC1RAB9ACHUK
SCHEMBL20078890 0.83 MAPT (0.33) KMT2AMAPTNPC1S1PR2SMN1; SMN2
SCHEMBL25639161 0.82 CYP3A4 (0.39) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19788775 0.82 MAPT (0.43) KMT2AMAPTNPC1RAB9ACHUK
SCHEMBL16158000 0.82 KMT2A (0.43) KMT2AMAPTNPC1RAB9ACHUK
SCHEMBL22885997 0.78 — —
SCHEMBL20079062 0.77 MEN1 (0.50) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL25644750 0.77 KDM4E (0.39) KMT2ANPC1RAB9ASMN1; SMN2GAA

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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 — — 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-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 KMT2A 3427/4885MAPT 170/4885NPC1 50/4885

“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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