SCHEMBL9235264

SCHEMBL9235264

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRB2 P47870 1/20 0.47
NR4A2 P43354 1/20 0.47
GUSB P08236 3/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
HTR2A P28223 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
SRC P12931 1/20 0.43
PRNP P04156 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL29003655 0.85 RAB9A (0.49) NR4A2MTNR1AMTNR1BHTR2A
SCHEMBL2405000 0.84 MPO (0.51) MTNR1AMTNR1BGPR84HTR2ATRPM8
SCHEMBL11893370 0.82 NR4A2 (0.50) GABRA1GABRB1GABRA3GABRB2NR4A2
SCHEMBL29003613 0.82 HTR2B (0.59) NR4A2MTNR1AMTNR1BGPR84HTR2A
SCHEMBL1972827 0.80 GPR84 (0.59) GPR84HTR2AHIF1AMEN1KMT2A
SCHEMBL6835417 0.77 MEN1 (0.51) GABRA1GABRB1GABRA3GABRB2NR4A2
SCHEMBL29003653 0.77 NR4A2 (0.46) NR4A2GPR84HTR2AMEN1KMT2A
SCHEMBL5217649 0.76 GUSB (0.45) GABRA1GABRB1GABRA3GABRB2NR4A2
SCHEMBL29003630 0.76 TDO2 (0.44) GPR84HTR2A
SCHEMBL7890292 0.76 NR4A2 (0.47) NR4A2GUSBGPR84HTR2AMEN1

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-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
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY ICMT, BHMT, SHMT1 GABRA1 4364/4885GABRB1 4224/4885GABRA3 4349/4885

“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.