SCHEMBL18675054

SCHEMBL18675054

COc1ccc2c(c1)nc(C(O)(c1ccccc1)c1ccccc1)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 18/20 1.00
▸ ALOX15 P16050 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL18675058 0.86 ACSS2 (1.00) ACSS2
SCHEMBL18675042 0.82 ACSS2 (1.00) ACSS2SMN1; SMN2
SCHEMBL10220402 0.79 ACSS2 (0.64) ACSS2ALDH1A1SMN1; SMN2
SCHEMBL17267104 0.79 ACSS2 (1.00) ACSS2
SCHEMBL10239601 0.77 ACSS2 (0.63) ACSS2ALDH1A1SMN1; SMN2
SCHEMBL17263139 0.75 ACSS2 (0.82) ACSS2
SCHEMBL18678916 0.75 ACSS2 (0.84) ACSS2
SCHEMBL17263055 0.72 ACSS2 (0.77) ACSS2
SCHEMBL16449993 0.72 ACSS2 (0.56) ACSS2ALDH1A1SMN1; SMN2
SCHEMBL17267075 0.71 ACSS2 (0.61) ACSS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 — — US disclosed
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 — — US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 — — US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 — — 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 (2 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 ACSS2 1/4885ALOX15 430/4885ALDH1A1 176/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 ACSS2 1/4885ALOX15 430/4885ALDH1A1 176/4885

“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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