SCHEMBL1098484

SCHEMBL1098484

CC(C)Nc1ccc([N+](=O)[O-])nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
BRD4 O60885 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 2/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1097891 0.80 ALDH1A1 (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31580426 0.80 ALDH1A1 (0.52) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1231414 0.78 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL14919183 0.77 MAPT (0.47) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1099926 0.76 MAPT (0.56) MAPTRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL17055036 0.76 MEN1 (0.45) MAPTRAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL15528630 0.75 MAPT (0.46) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2645124 0.75 CA12 (0.43) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16935115 0.74 HCAR3 (0.40) KCNH3MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1098185 0.73 MAPT (0.41) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101072758-B Quinazoline derivatives ASTRAZENECA AB 2013-07-31 CN disclosed
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101072758-A Quinazoline derivatives ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 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 (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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 KCNH3 1102/4885MAPT 3010/4885RAB9A 180/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 KCNH3 1074/4885MAPT 2983/4885RAB9A 188/4885

“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.