SCHEMBL8777470

SCHEMBL8777470

Clc1ccccc1Oc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.46
MAP4K4 O95819 1/20 0.45
BLM P54132 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPT P10636 2/20 0.34
PPP1CA P62136 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
SCHEMBL8777441 0.85 CYP1A2 (0.43) ALDH1A1HTTLMNACYP1A2SMN1; SMN2
SCHEMBL3787255 0.84 MAP4K4 (0.45) ALDH1A1HTTMAP4K4KMT2ACYP1A2
SCHEMBL8777438 0.84 MAP4K4 (0.45) ALDH1A1HTTLMNAMAP4K4KMT2A
SCHEMBL8777447 0.84 LMNA (0.41) ALDH1A1HTTLMNAKMT2ACYP1A2
SCHEMBL9607738 0.84 GAA (0.37) ALDH1A1HTTLMNAMAP4K4KMT2A
SCHEMBL8777351 0.82 HTT (0.52) ALDH1A1HTTKMT2ACYP1A2SMN1; SMN2
SCHEMBL8777408 0.81 P2RX3 (0.42) ALDH1A1HTTLMNAKMT2ACYP1A2
SCHEMBL8777503 0.81 MAP4K4 (0.48) ALDH1A1LMNAMAP4K4KMT2ACYP1A2
SCHEMBL8777472 0.81 MRGPRX1 (0.36) BLMKMT2ACYP1A2PPP1CA
SCHEMBL3786821 0.81 HTT (0.47) ALDH1A1HTTLMNAMAP4K4KMT2A

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 ALDH1A1 1125/4885HTT 2814/4885LMNA 3612/4885

“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.