SCHEMBL14612958

SCHEMBL14612958

CCNCCNc1ncc(CC)c(C(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ GLA P06280 2/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ CDK4 P11802 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
SCHEMBL14582233 0.81 — —
SCHEMBL12338165 0.77 KDM4E (0.34) KMT2ANPSR1AURKAMEN1
SCHEMBL14612959 0.69 ALDH1A1 (0.34) USP2ALDH1A1CYP1A2GLACASP1
SCHEMBL17721727 0.69 TKT (0.34) —
SCHEMBL13693762 0.69 LMNA (0.38) —
SCHEMBL12338167 0.67 DHFR (0.45) —
SCHEMBL14582229 0.65 CHEK1 (0.34) —
SCHEMBL13074381 0.64 ALDH1A1 (0.70) ALDH1A1HPGDCYP2C19KMT2ANSD2
SCHEMBL21657680 0.64 DHFR (0.39) —
SCHEMBL19708890 0.63 CACNA2D1 (0.38) USP2ALDH1A1CYP1A2GLACASP1

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-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 — — 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 USP2 3933/4885ALDH1A1 282/4885CYP1A2 372/4885

“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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