SCHEMBL4033994

SCHEMBL4033994

Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 9/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PKM P14618 5/20 0.46
P4HB P07237 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41

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
SCHEMBL30868275 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL5659050 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL4031948 0.80 ALDH1A1 (0.57) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL4027723 0.77 HTT (0.43) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL31217501 0.77 TXNRD1 (0.63) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL717854 0.74 PDE7A (0.71) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL30868164 0.73 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL8046347 0.72 PDK1 (0.60) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL5654082 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL1114984 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTMAPTLMNA

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-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 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 (2 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-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 ALDH1A1 3334/4885SMN1; SMN2 4731/4885HTT 3456/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 ALDH1A1 4094/4885SMN1; SMN2 4856/4885HTT 3322/4885

“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.