SCHEMBL3472825

SCHEMBL3472825

ClOCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH3 Q9Y5N1 5/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
SCN1A P35498 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN2A Q99250 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SCN3A Q9NY46 1/20 0.51
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 2/20 0.47
CYP2D6 P10635 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6602687 0.86 ALDH1A1 (0.46) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL5293921 0.82 KEAP1 (0.58) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL17980672 0.80 KEAP1 (0.56) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL27814848 0.79 HRH3 (0.39) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL23138463 0.78 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL14793394 0.78 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL15187726 0.78 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL17982316 0.78 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL8216914 0.78 KEAP1 (0.54) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1
SCHEMBL8216918 0.78 KEAP1 (0.59) KEAP1SMN1; SMN2HRH3MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline OMEGA MEDICAL TAIWAN LIMITED (TW) 2010-10-21 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-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline NQO2, ATIC, CYP3A7 KEAP1 666/4885SMN1; SMN2 3906/4885HRH3 2490/4885

“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.