SCHEMBL29689791

SCHEMBL29689791

CN(C)Cn1cnc2c(-c3ccccc3)cc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ GRIN2B Q13224 4/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ ADORA2A P29274 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL3922194 0.81 LMNA (0.56) LMNABRD4ADORA2API4KAPI4K2B
SCHEMBL29382308 0.79 CYP1A2 (0.44) LMNADPP4BRD4ADORA2AALDH1A1
SCHEMBL23579642 0.79 CYP17A1 (0.49) LMNADPP4BRD4ADORA2APTGDR2
SCHEMBL23607656 0.79 CYP1A2 (0.44) LMNADPP4BRD4ADORA2AALDH1A1
SCHEMBL23579933 0.77 DPP4 (0.54) DPP4RPS6KA3TEKCYP1A2KMT2A
SCHEMBL23579760 0.66 RPS6KA3 (0.46) LMNAGRIN2BRPS6KA3MEN1ALDH1A1
SCHEMBL23608127 0.63 DHODH (0.46) ADORA2ARPS6KA3MEN1KMT2A
SCHEMBL23579650 0.63 TNF (0.50) BRD4MEN1ALDH1A1HPGDKMT2A
SCHEMBL114239 0.63 HTR2A (0.37) LMNAADORA2AALDH1A1CYP1A2HPGD
SCHEMBL23580758 0.63 RPS6KA3 (0.49) LMNAADORA2ARPS6KA3MEN1ALDH1A1

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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — 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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 LMNA 1225/4885DPP4 3147/4885GRIN2B 1344/4885

“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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