SCHEMBL10311166

SCHEMBL10311166

[2H]C(O)c1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
CYP1A2 P05177 1/20 0.49
NCF1 P14598 1/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FERMT2 Q96AC1 1/20 0.42
MAPT P10636 4/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL31599195 0.85 LOXL2 (0.67) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL334360 0.85 LOXL2 (0.67) LOXL2CYP1A2NCF1HTR1AADRA1D
Bromide SCHEMBL9399386 0.83 LOXL2 (0.64) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL6176955 0.80 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL7358307 0.77 LOXL2 (0.56) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL6112363 0.75 LOXL2 (0.64) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL996284 0.75 LOXL2 (0.64) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL13067165 0.75 LOXL2 (0.64) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL17266358 0.75 LOXL2 (0.64) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL3817375 0.75 LOXL2 (0.64) LOXL2CYP1A2NCF1HTR1AADRA1D

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-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS JENRIN DISCOVERY (US) 2012-07-12 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-20120178717-A1 4-QUINOLINEMETHANOLS AS ANTI-MALARIAL AGENTS CYP51A1, SQLE, NQO2 LOXL2 4312/4885CYP1A2 65/4885NCF1 2389/4885

“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.