SCHEMBL11893370

SCHEMBL11893370

CC(C(N)=O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
GUSB P08236 3/20 0.48
SRC P12931 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HTR2A P28223 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43

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
SCHEMBL11893400 0.87 NR4A2 (0.51) NR4A2GUSBSRCMTNR1AMTNR1B
SCHEMBL28710170 0.83 NR4A2 (0.58) NR4A2GUSBSRCMTNR1AMTNR1B
SCHEMBL9235256 0.83 NR4A2 (0.51) NR4A2GUSBSRCMEN1KMT2A
SCHEMBL9235264 0.82 GABRA1 (0.47) NR4A2GUSBSRCMEN1KMT2A
SCHEMBL9094375 0.80 GUSB (0.54) NR4A2GUSBSRCMTNR1AMTNR1B
SCHEMBL14631312 0.80 SRC (0.51) NR4A2GUSBSRCMEN1KMT2A
SCHEMBL3156224 0.79 SRC (0.54) NR4A2GUSBSRCMTNR1AMTNR1B
SCHEMBL4001528 0.78 GPR84 (0.57) MEN1KMT2AGPR84HTR2A
SCHEMBL10874777 0.78 SRC (0.52) NR4A2GUSBSRCMTNR1AMTNR1B
SCHEMBL5180220 0.78 NR4A2 (0.51) NR4A2GUSBSRCMEN1KMT2A

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
EP-4182030-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2023-05-24 EP disclosed
US-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 US disclosed
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 US disclosed
CN-102574787-A Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity UNIV SINGAPORE 2012-07-11 CN 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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY ICMT, BHMT, SHMT1 NR4A2 4377/4885GUSB 2999/4885SRC 2480/4885

“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.