SCHEMBL3040202

SCHEMBL3040202

CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(-c2cc(Br)ccc2Cl)n1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSPO P30536 7/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
TSHR P16473 1/20 0.79
ALDH1A1 P00352 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79
NR1I3 Q14994 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79

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
SCHEMBL3036447 1.00 TSPO (0.79) TSPOMEN1KMT2ACYP3A4CYP2C9
SCHEMBL3035730 1.00 TSPO (0.79) TSPOMEN1KMT2ACYP3A4CYP2C9
SCHEMBL3046250 0.89 TSPO (0.81) TSPOMEN1KMT2ACYP3A4CYP2C9
SCHEMBL3046732 0.89 TSPO (0.81) TSPOMEN1KMT2ACYP3A4CYP2C9
SCHEMBL3035734 0.89 TSPO (0.81) TSPOMEN1KMT2ACYP3A4CYP2C9
Pk-11195 SCHEMBL31060347 0.89 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL15118334 0.89 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL12790424 0.89 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL29357086 0.89 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9
(R)Pk-11195 SCHEMBL29477174 0.89 TSPO (1.00) TSPOMEN1KMT2ACYP3A4CYP2C9

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
US-20110064662-A1 KIT FOR PRODUCING MOLECULAR PROBE FOR PET SCREENING FOR DRUG DISCOVERY RIKEN (JP) 2011-03-17 US disclosed
US-20110064662-A1 KIT FOR PRODUCING MOLECULAR PROBE FOR PET SCREENING FOR DRUG DISCOVERY RIKEN (JP) 2011-03-17 US disclosed
US-20110064662-A1 KIT FOR PRODUCING MOLECULAR PROBE FOR PET SCREENING FOR DRUG DISCOVERY RIKEN (JP) 2011-03-17 US disclosed
EP-2228363-A1 KIT FOR USE IN PRODUCTION OF MOLECULAR PROBE FOR PET DRUG SCREENING Riken (JP) 2010-09-15 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-20110064662-A1 KIT FOR PRODUCING MOLECULAR PROBE FOR PET SCREENING FOR DRUG DISCOVERY KIT, TPX2, RUNX1 TSPO 241/4885MEN1 313/4885KMT2A 2122/4885

“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.