SCHEMBL4534162

SCHEMBL4534162

O=[N+]([O-])c1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.54
▸ MCHR1 Q99705 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ GRIN2B Q13224 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ VCAM1 P19320 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
SCHEMBL4533106 0.88 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1LMNAKDM4E
SCHEMBL28128093 0.79 NPBWR1 (0.51) NPBWR1MCHR1ALDH1A1LMNAKDM4E
SCHEMBL30402470 0.78 HSD17B10 (0.55) ALDH1A1LMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL30799252 0.78 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL21996063 0.78 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL6814914 0.78 NPBWR1 (0.47) NPBWR1MCHR1ALDH1A1LMNAKDM4E
SCHEMBL22624766 0.76 NPBWR1 (0.63) NPBWR1MCHR1ALDH1A1LMNAKDM4E
SCHEMBL4531959 0.76 NPBWR1 (0.57) NPBWR1MCHR1ALDH1A1KDM4EPOLB
SCHEMBL1039759 0.76 BCHE (0.50) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2635104 0.74 POLB (0.50) ALDH1A1POLBGRIN2BSMN1; SMN2MEN1

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-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 — — 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 NPBWR1 2103/4885MCHR1 1254/4885ALDH1A1 2449/4885

“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.

Send feedback