SCHEMBL2256259

SCHEMBL2256259

O=C(CCBr)c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
MAPK1 P28482 1/20 0.65
HIF1A Q16665 1/20 0.65
ERCC5 P28715 2/20 0.57
FEN1 P39748 2/20 0.57
TSHR P16473 1/20 0.55
CASP1 P29466 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
SRD5A2 P31213 1/20 0.45
AGTR1 P30556 2/20 0.43
MEN1 O00255 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
SCHEMBL11278113 0.89 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL7390637 0.86 ALDH1A1 (0.57) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL641759 0.85 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL29859075 0.85 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL2211446 0.83 ALDH1A1 (0.67) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL11755601 0.83 ALDH1A1 (0.72) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL27439105 0.82 ABL1 (0.51) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL481408 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL2125979 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL4516558 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AERCC5FEN1

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-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 ALDH1A1 1728/4885MAPK1 913/4885HIF1A 742/4885

“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.