SCHEMBL14030744

SCHEMBL14030744

O=C(CNC(=O)OCc1ccccc1)NCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
PRSS1 P07477 1/20 0.53
TPSAB1 Q15661 1/20 0.53
TPSD1 Q9BZJ3 1/20 0.53
TPSG1 Q9NRR2 1/20 0.53
KCNK3 O14649 1/20 0.53
KCNA3 P22001 1/20 0.53
KCNA5 P22460 1/20 0.53
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL27791622 0.91 POLB (0.62) POLBHPGDALOX15TDP1CYP1A2
SCHEMBL7138929 0.85 CYP1A2 (0.52) POLBHPGDALOX15TDP1CYP1A2
SCHEMBL8149664 0.83 PRSS1 (0.73) ALDH1A1SMN1; SMN2PRSS1TPSAB1TPSD1
SCHEMBL30576720 0.82 PRSS1 (0.71) ALDH1A1SMN1; SMN2PRSS1TPSAB1TPSD1
SCHEMBL160429 0.80 KCNA5 (0.67) HPGDALOX15TDP1CYP1A2ALDH1A1
SCHEMBL4197525 0.79 CHRM2 (0.58) POLBHPGDALOX15TDP1CYP1A2
SCHEMBL31550495 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2PRSS1TPSAB1TPSD1
SCHEMBL7143650 0.79 CYP1A2 (0.57) POLBCYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL7401301 0.78 NPC1 (0.67) POLBHPGDALOX15TDP1ALDH1A1
SCHEMBL8178335 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2PRSS1TPSAB1TPSD1

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 POLB 2589/4885HPGD 247/4885ALOX15 1524/4885

“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.