SCHEMBL8778958

SCHEMBL8778958

Cc1ccc(-c2ncc3cc([N+](=O)[O-])ccc3n2)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 5/20 0.46
OPRK1 P41145 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPBWR1 P48145 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40

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
SCHEMBL8777283 0.86 CYP1A2 (0.53) CYP1A2KMT2AABCG2MAPTALDH1A1
SCHEMBL8777077 0.86 CYP1A2 (0.69) CYP1A2KMT2AABCG2MAPTALDH1A1
SCHEMBL3789195 0.82 KDM4E (0.47) KMT2AMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL3204572 0.82 CYP1A2 (0.68) CYP1A2KMT2AOPRK1ABCG2MAPT
SCHEMBL8779050 0.80 MAPT (0.41) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8779053 0.80 PDE10A (0.41) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8779166 0.80 PDE10A (0.41) CYP1A2KMT2AABCG2MAPTALDH1A1
SCHEMBL8779034 0.80 KMT2A (0.44) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL8776938 0.79 PDE10A (0.51) CYP1A2KMT2AMAPTALDH1A1TDP1
SCHEMBL9607579 0.79 CYP1A2 (0.45) CYP1A2KMT2AABCG2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 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 (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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A2 18/4885KMT2A 2145/4885OPRK1 4416/4885

“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.