SCHEMBL3798460

SCHEMBL3798460

O=NC(=O)c1ncccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
GAA P10253 1/20 0.39
CTSA P10619 1/20 0.38
MYC P01106 1/20 0.38
RAB9A P51151 3/20 0.37

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
SCHEMBL209954 0.82 KDM4E (0.61) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL29535774 0.82 KDM4E (0.61) KDM4EMAPTALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5277146 0.80 KDM4E (0.59) KDM4EMAPTALDH1A1CYP3A4ALOX15
Fluoride SCHEMBL28008756 0.80 KDM4E (0.59) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL7108131 0.78 CASP3 (0.43) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL3412671 0.78 ALDH1A1 (0.46) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL29229156 0.78 KDM4E (0.45) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL27999275 0.77 SMN1; SMN2 (0.42) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL13270672 0.77 KDM4E (0.46) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL8694839 0.77 KDM4E (0.46) KDM4EMAPTALDH1A1CYP3A4ALOX15

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
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 KDM4E 1859/4885MAPT 3911/4885ALDH1A1 3141/4885

“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.