SCHEMBL8776528

SCHEMBL8776528

COc1cccc(Cl)c1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 3/20 0.41
HSP90AA1 P07900 2/20 0.40
PPP1CA P62136 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HSP90AB1 P08238 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
ELANE P08246 1/20 0.35
MAP4K1 Q92918 1/20 0.35
WEE1 P30291 1/20 0.35
NQO2 P16083 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL8777306 0.92 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CYP1A2NPSR1
SCHEMBL8776618 0.87 MAP4K1 (0.45) MEN1KMT2AL3MBTL1MAP4K1MAOA
SCHEMBL8775692 0.85 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2CYP1A2NPSR1
SCHEMBL8776831 0.82 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8777037 0.81 ADORA2A (0.43) MEN1KMT2ASMN1; SMN2CYP1A2NPSR1
SCHEMBL8776642 0.81 TP53 (0.41) MEN1KMT2ASMN1; SMN2CYP1A2NPSR1
SCHEMBL8776452 0.81 CYP1A2 (0.41) MEN1KMT2ACYP1A2L3MBTL1PDE10A
SCHEMBL8776753 0.80 MAOA (0.43) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8776689 0.80 ALDH1A1 (0.43) KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8776621 0.79 CYP1A2 (0.37) CYP1A2ALDH1A1L3MBTL1ELANEMAOA

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 4 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
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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 (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 MEN1 571/4885KMT2A 2145/4885SMN1; SMN2 3646/4885

“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.