SCHEMBL27216809

SCHEMBL27216809

O=C(O)C(c1ccnc2ccccc12)c1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NCF1 P14598 1/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
PTK2B Q14289 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
ESR1 P03372 1/20 0.43
SLC22A12 Q96S37 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
SCHEMBL28195452 0.92 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2112739 0.84 CYP2D6 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31016542 0.83 USP5 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1147518 0.83 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8329989 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18584623 0.78 NSD2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28849227 0.77 NPC1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11877314 0.77 NCF1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4278256 0.77 NCF1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16151154 0.77 LOXL2 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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-20240156090-A1 SUSPENSION CONCENTRATE ACYLHYDRAZONE APYRASE INHIBITOR FORMULATION TEXAS CROP SCIENCE, INC. 2024-05-16 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-20240156090-A1 SUSPENSION CONCENTRATE ACYLHYDRAZONE APYRASE INHIBITOR FORMULATION APEH, DNPEP, ACHE ALDH1A1 159/4885CYP1A2 2029/4885CYP3A4 1985/4885

“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.