SCHEMBL27112910

SCHEMBL27112910

CCc1cncc(CNC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ GPR55 Q9Y2T6 2/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ HSPA5 P11021 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL27114394 0.83 AOC3 (0.33) CHRNB2CHRNA4PARP1
SCHEMBL17886903 0.81 CYP11B1 (0.40) CYP3A4
SCHEMBL240843 0.78 SMYD3 (0.39) ALDH1A1NPSR1SMYD3CHRNB2CHRNA4
SCHEMBL13771813 0.78 PRMT6 (0.40) ALDH1A1NPSR1SMYD3CYP3A4MAPT
SCHEMBL25489462 0.75 PDCD1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL27112902 0.74 TP53 (0.39) ALDH1A1CYP1A2MEN1TP53MAPT
SCHEMBL21316558 0.74 ESR1 (0.35) ALDH1A1NPSR1SMYD3CHRNB2CHRNA4
SCHEMBL7655866 0.73 HTT (0.34) KMT2ASMN1; SMN2HTT
SCHEMBL15961525 0.73 LMNA (0.48) ALDH1A1NPSR1MEN1NPC1TP53
SCHEMBL24139848 0.71 DYRK1A (0.50) NPSR1CYP3A4MAPT

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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 — — 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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 ALDH1A1 1629/4885NPSR1 641/4885SMYD3 2112/4885

“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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