SCHEMBL1800895

SCHEMBL1800895

O=C(Nc1ccccc1)C(Br)Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
EPHX1 P07099 1/20 0.56
TSHR P16473 1/20 0.56
EPHX2 P34913 1/20 0.56
CDK9 P50750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
ATM Q13315 2/20 0.55
HTT P42858 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
HPGD P15428 1/20 0.55
HSP90AA1 P07900 2/20 0.53
NPC1 O15118 2/20 0.53

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
SCHEMBL11657220 0.92 MAPT (0.68) POLBSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9068980 0.86 POLB (0.61) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL9157991 0.83 POLB (0.57) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL9676988 0.83 POLB (0.57) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL11174713 0.83 MEN1 (0.61) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL628621 0.83 ALDH1A1 (0.61) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL9158000 0.83 POLB (0.57) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL6864880 0.80 ALDH1A1 (0.63) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL11380030 0.80 POLB (0.59) POLBSMN1; SMN2TP53EPHX1TSHR
SCHEMBL9614167 0.79 POLB (0.53) POLBSMN1; SMN2TP53EPHX1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951602-B2 Mass defect labeling and methods of use thereof UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-05-31 US disclosed
US-20090061523-A1 MASS DEFECT LABELING AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-05 US 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-20090061523-A1 MASS DEFECT LABELING AND METHODS OF USE THEREOF PTMS, SPPL2B, NPPA POLB 1005/4885SMN1; SMN2 368/4885TP53 37/4885

“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.