SCHEMBL12401762

SCHEMBL12401762

CN(C)c1ccc(Cl)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 4/20 0.41
FSCN1 Q16658 1/20 0.39
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHKA P35790 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.33
RBP4 P02753 1/20 0.32

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
SCHEMBL24848636 0.77 CYP1A2 (0.41) GAAKMT2AKDM4ELMNAKCNH2
SCHEMBL20909917 0.77 ALDH1A1 (0.41) GAAKMT2AKDM4ELMNAHTT
SCHEMBL2098379 0.75 PTGDR2 (0.40) GAAKMT2AMAPK1KDM4ELMNA
SCHEMBL3789565 0.75 GAA (0.61) GAAKMT2AMAPK1FSCN1LMNA
SCHEMBL13403326 0.75 MAPK1 (0.46) GAAKMT2AMAPK1KDM4ELMNA
SCHEMBL799894 0.73 TP53 (0.48) GAAKMT2AMAPK1KDM4ELMNA
SCHEMBL2616324 0.73 GAA (0.59) GAAKMT2AMAPK1FSCN1LMNA
SCHEMBL20889643 0.72 CYP2D6 (0.42) GAALMNAHTTALDH1A1
SCHEMBL8233668 0.71 KMT2A (0.57) GAAKMT2AMAPK1KDM4EFSCN1
SCHEMBL6763833 0.71 MAPK1 (0.39) GAAKMT2AMAPK1KDM4ELMNA

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-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 GAA 771/4885KMT2A 2779/4885MAPK1 1199/4885

“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.