SCHEMBL3038709

SCHEMBL3038709

Clc1ccc(Br)cc1-c1nc(CBr)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
TSPO P30536 5/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
NR1I3 Q14994 1/20 0.35

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
SCHEMBL3043587 0.80 RXFP1 (0.41) RXFP1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL3041673 0.77 KMT2A (0.39) RXFP1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL3035741 0.76 KMT2A (0.46) RXFP1KMT2AGAAMAPTTSPO
SCHEMBL30129797 0.73 L3MBTL1 (0.41) KMT2AMAPTALDH1A1CYP3A4TSHR
SCHEMBL7755176 0.72 ERBB2 (0.41) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL3039437 0.69 TSPO (0.52) RXFP1KMT2ATSPOMEN1ALDH1A1
SCHEMBL3041620 0.69 TSPO (0.52) RXFP1KMT2ATSPOMEN1ALDH1A1
SCHEMBL3039772 0.69 TSPO (0.52) RXFP1KMT2ATSPOMEN1ALDH1A1
SCHEMBL3035730 0.68 TSPO (0.79) KMT2ATSPOMEN1ALDH1A1NPSR1
SCHEMBL3036447 0.68 TSPO (0.79) KMT2ATSPOMEN1ALDH1A1NPSR1

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.