SCHEMBL14535489

SCHEMBL14535489

[N-]=[N+]=NCC(O)(C=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KAT2B Q92831 2/20 0.31
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL28311749 0.77 CYP2C9 (0.41) NPSR1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL13460530 0.74 CYP2C19 (0.39) NPSR1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL17927203 0.74 CYP2C19 (0.39) NPSR1KMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL1291194 0.72 KDM4E (0.39) NPSR1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL10839660 0.71 KMT2A (0.41) KMT2AMEN1CYP2C9CYP2C19CYP1A2
SCHEMBL10838108 0.71 KMT2A (0.41) KMT2AMEN1CYP2C9CYP2C19CYP1A2
SCHEMBL5618223 0.71 KMT2A (0.41) KMT2AMEN1CYP2C9CYP2C19CYP1A2
SCHEMBL28173175 0.70 CYP2C19 (0.37) NPSR1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL15786468 0.69 TAAR1 (0.47) NPSR1KMT2ACYP2C19ALDH1A1MAPT
SCHEMBL13879187 0.69 TSHR (0.39) NPSR1PTPN1ALDH1A1TSHRKAT2B

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-20070112199-A1 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-05-17 — — 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-20070112199-A1 Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts AKR1C2, AKR1A1, AKR1B1 NPSR1 2523/4885KMT2A 622/4885MEN1 877/4885

“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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