SCHEMBL3043587

SCHEMBL3043587

Cc1cc2ccccc2c(-c2cc(Br)ccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TSPO P30536 5/20 0.36
MEN1 O00255 2/20 0.36
PTGES O14684 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
NR1I3 Q14994 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4802524 0.83 TSPO (0.48) KMT2AMAPTL3MBTL1SMN1; SMN2TSPO
SCHEMBL3038709 0.80 RXFP1 (0.40) RXFP1KMT2AGAAMAPTL3MBTL1
SCHEMBL3041673 0.79 KMT2A (0.39) RXFP1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL3035741 0.78 KMT2A (0.46) RXFP1KMT2AGAAMAPTL3MBTL1
SCHEMBL28008494 0.76 ALDH1A1 (0.41) KMT2AMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL29118727 0.74 NPC1 (0.43) RXFP1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL29118672 0.73 ADORA2A (0.51) MAPTL3MBTL1SMN1; SMN2CYP3A4TSHR
SCHEMBL3039772 0.71 TSPO (0.52) RXFP1KMT2AL3MBTL1TSPOMEN1
SCHEMBL3041620 0.71 TSPO (0.52) RXFP1KMT2AL3MBTL1TSPOMEN1
SCHEMBL8474538 0.70 TSPO (0.48) MAPTL3MBTL1TSPOCYP3A4TSHR

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 RXFP1 540/4885KMT2A 2122/4885GAA 370/4885

“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.