SCHEMBL3040156

SCHEMBL3040156

CC(C)(NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 3/20 0.47
GPR139 Q6DWJ6 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45

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
SCHEMBL3049695 0.88 IMPDH2 (0.52) IMPDH2MEN1KMT2AROCK2ROCK1
SCHEMBL3046619 0.87 IMPDH2 (0.51) IMPDH2ROCK2ROCK1NPC1RAB9A
SCHEMBL3836791 0.85 IMPDH2 (0.49) IMPDH2ROCK2ROCK1NPC1RAB9A
SCHEMBL3039346 0.85 ROCK2 (0.57) IMPDH2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3835811 0.83 POLB (0.56) IMPDH2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL3046746 0.82 VNN1 (0.57) IMPDH2MEN1KMT2ACYP2C19NPC1
SCHEMBL3840008 0.82 IMPDH2 (0.46) IMPDH2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL13753157 0.80 MEN1 (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3039120 0.80 POLB (0.58) IMPDH2CYP2C9CYP2C19ROCK2ROCK1
SCHEMBL3039175 0.80 ROCK2 (0.47) IMPDH2MEN1KMT2ACYP1A2CYP2C19

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 IMPDH2 3627/4885MEN1 1165/4885KMT2A 320/4885

“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.