SCHEMBL4158787

SCHEMBL4158787

NCc1cc(C(O)c2cc(CN)on2)no1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.30

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
SCHEMBL442507 0.79 NOTUM (0.43) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL19555684 0.78 NOTUM (0.42) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9548280 0.74 NOTUM (0.40) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL9548294 0.73 EPHX2 (0.36) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL3131551 0.71
Muscimol SCHEMBL5781030 0.71 NOTUM (0.47) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
Muscimol SCHEMBL8680242 0.70 NOTUM (0.46) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
Muscimol SCHEMBL352714 0.70
Hydrochloric Acid SCHEMBL567950 0.70
Muscimol SCHEMBL7440548 0.70

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 NOTUM 1823/4885CYP2E1 269/4885CYP2A6 260/4885

“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.