SCHEMBL8778355

SCHEMBL8778355

Cc1ccc(-c2ncc3ccccc3n2)nc1Cc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.33
ENPP1 P22413 1/20 0.33
ADCY10 Q96PN6 1/20 0.33
MAOB P27338 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL8778322 0.88 CYP1A2 (0.38) CYP1A2HTTTSHRLMNAMAPT
SCHEMBL3786388 0.87 CYP1A2 (0.40) SMN1; SMN2CYP1A2HTTLMNASTAT3
SCHEMBL8778412 0.86 KDM4E (0.41) SMN1; SMN2CYP1A2HTTLMNAMAPT
SCHEMBL8871754 0.86 GPR52 (0.42) CYP1A2RAB9AHTR2CHTR2BAPP
SCHEMBL8778508 0.84 MAPT (0.47) GBA1SMN1; SMN2CYP1A2HTTTSHR
SCHEMBL8778366 0.82 CYP1A2 (0.38) SMN1; SMN2CYP1A2HTTLMNAPOLB
SCHEMBL3781985 0.81 AR (0.36) CYP1A2LMNA
SCHEMBL8778423 0.80 LMNA (0.41) PTGS1PTGS2SMN1; SMN2CYP1A2HTT
SCHEMBL8778331 0.80 RXFP1 (0.37) CYP1A2HTTLMNAMAPTNPC1
SCHEMBL8778367 0.80 USP1 (0.38) CYP1A2LMNAMAPTAPP

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 GBA1 812/4885PTGS1 2468/4885PTGS2 3580/4885

“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.