SCHEMBL8779765

SCHEMBL8779765

Cc1ccc(C)c(-c2cccc(-c3nc(C)c4ccccc4n3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
PDE10A Q9Y233 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALOX12 P18054 1/20 0.41
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 3/20 0.40
RECQL P46063 2/20 0.40
CYP2D6 P10635 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 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
SCHEMBL8779634 0.86 CYP1A2 (0.51) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL8779779 0.79 PDE10A (0.43) KMT2APDE10AALDH1A1KDM4EMAPT
SCHEMBL8817891 0.79 TGFBR1 (0.47) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL3786375 0.78 CYP1A2 (0.40) KMT2AALDH1A1KDM4EMAPTNPSR1
SCHEMBL8884919 0.78 PDE10A (0.62) KMT2APDE10AALDH1A1MAPTLMNA
SCHEMBL4401765 0.77 KMT2A (0.45) KMT2AALDH1A1KDM4EMAPTCYP1A2
SCHEMBL8872433 0.76 PDE10A (0.49) KMT2APDE10AALDH1A1LMNAL3MBTL1
SCHEMBL4404668 0.75 MEN1 (0.53) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL19836768 0.74 CYP1A2 (0.49) KMT2AALDH1A1KDM4EMAPTTDP1
SCHEMBL17904147 0.72 NR1I3 (0.68) KMT2APDE10AALDH1A1MAPTLMNA

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 KMT2A 2145/4885PDE10A 1335/4885ALDH1A1 1125/4885

“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.