SCHEMBL19360747

SCHEMBL19360747

CCOC(=O)[C@@H]1CCC(N=[N+]=[N-])[C@@H](C)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL16134084 1.00 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28295181 0.83 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16071861 0.83 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL13618930 0.83 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18897229 0.83 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30337446 0.82 MAPT (0.35) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL31664520 0.82 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30278791 0.82 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16071863 0.78 KMT2A (0.42) ALDH1A1MEN1KMT2ATSHR
SCHEMBL13618996 0.78 KMT2A (0.42) ALDH1A1MEN1KMT2ATSHR

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-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — 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-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC MAPT 4190/4885ALDH1A1 3719/4885MEN1 3268/4885

“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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