SCHEMBL20746341

SCHEMBL20746341

Cc1ccc(NC(=O)Cc2ccc(C=CC(=O)c3ncc[nH]3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.48
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 4/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL20746339 1.00 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL20754432 0.90 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL20746552 0.89 GAA (0.53) SMN1; SMN2GAAKMT2AMAPTNPSR1
SCHEMBL20746553 0.89 GAA (0.53) SMN1; SMN2GAAKMT2AMAPTNPSR1
SCHEMBL20746574 0.89 NPC1 (0.51) SMN1; SMN2RAB9AKMT2AMAPTNPSR1
SCHEMBL20746436 0.89 KMT2A (0.51) SMN1; SMN2RAB9AKMT2AMAPTNPSR1
SCHEMBL20746435 0.89 KMT2A (0.51) SMN1; SMN2RAB9AKMT2AMAPTNPSR1
SCHEMBL20746542 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AGAAKMT2AMAPT
SCHEMBL20754456 0.89 CYP1A2 (0.45) GAAKMT2AMAPTNPSR1LMNA
SCHEMBL20746541 0.89 SMN1; SMN2 (0.52) SMN1; SMN2RAB9AGAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US claimed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 SMN1; SMN2 3892/4885RAB9A 2894/4885GAA 846/4885

“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.