SCHEMBL10139693

SCHEMBL10139693

CCCCOc1ccc(N=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
LTA4H P09960 3/20 0.52
TSHR P16473 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NR5A1 Q13285 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL22384820 0.94 NR5A1 (0.59) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL21919304 0.86 CYP2C9 (0.50) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL5532994 0.83 NQO1 (0.64) CYP1A2LTA4HTSHRCA12CA1
SCHEMBL4392335 0.83 CYP2C9 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL28964341 0.83 CYP2C9 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL28964340 0.83 CYP2C9 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL26850 0.82 LTA4H (0.70) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL20776786 0.82 FURIN (0.48) CYP1A2CYP19A1CYP2C9CYP2C19GAA
SCHEMBL31644346 0.79 CYP2C9 (0.54) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H
SCHEMBL414168 0.79 CYP1A2 (0.50) CYP1A2CYP19A1CYP2C9CYP2C19LTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132724-A1 AZO(HETERO)ARYL DERIVATIVES FOR USE AS RADIOSWITCHS AND THEIR USE IN THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-06-26 WO disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
WO-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CYP1A2 1041/4885CYP19A1 1310/4885CYP2C9 729/4885

“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.