SCHEMBL25644750

SCHEMBL25644750

CC(C)c1ccc(Cl)c2c(NC(=O)CNC3CC3)nn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31

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
SCHEMBL16157929 0.86 KDM4E (0.41) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL25639161 0.84 CYP3A4 (0.39) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19788826 0.83 KDM4E (0.41) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL20079062 0.81 MEN1 (0.50) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL19788777 0.81 ALDH1A1 (0.41) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24997639 0.79 KDM4E (0.31) KDM4ETDP1
SCHEMBL20078890 0.78 MAPT (0.33) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16006445 0.77 PDK1 (0.33) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL24997637 0.77 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL22885997 0.74 — —

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-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — 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-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 KDM4E 1624/4885TDP1 1208/4885MEN1 4829/4885

“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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