SCHEMBL21527477

SCHEMBL21527477

CN1c2ncn(COCC[Si](C)(C)C)c2C(=O)N(Cc2ccccn2)C1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.34
▸ KDM4E B2RXH2 7/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 2/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CNOT7 Q9UIV1 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ DGAT1 O75907 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CREBBP Q92793 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
SCHEMBL20787899 0.83 TRPA1 (0.35) MAPTCREBBP
SCHEMBL20786627 0.77 DGAT1 (0.30) DGAT1
SCHEMBL21527507 0.71 BRD4 (0.35) TSHRDGAT1CREBBP
SCHEMBL17609941 0.69 TRPA1 (0.51) ALDH1A1PKMCNOT7POLB
SCHEMBL21861319 0.68 BRD4 (0.35) DGAT1CREBBP
SCHEMBL21527484 0.67 KMT2A (0.39) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL21861469 0.64 DDB1 (0.33) ALDH1A1KDM4EMAPTTSHRGAA
SCHEMBL23974592 0.64 TSHR (0.57) ALDH1A1KDM4ETSHRGAAPKM
SCHEMBL15845891 0.63 KMT2A (0.52) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL31572148 0.63 KMT2A (0.52) MAPTKMT2AMEN1LMNAMAPK1

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-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL ELI LILLY AND COMPANY 2019-10-31 — — 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-20190330212-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL TRPV1, TRPA1, TRPV2 ALDH1A1 706/4885KDM4E 4811/4885MAPT 2292/4885

“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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