SCHEMBL2332306

SCHEMBL2332306

COc1ccc(CNC(=O)c2ccc3ccccc3c2Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.60
HPGD P15428 5/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
RXFP1 Q9HBX9 2/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 2/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL2322433 0.85 NCEH1 (0.60) EGLN1HPGDALDH1A1KMT2AHDAC1
SCHEMBL38659544 0.77 HPGD (0.56) EGLN1HPGDALDH1A1MEN1KMT2A
SCHEMBL16562242 0.77 EGLN1 (0.69) EGLN1HPGDALDH1A1MEN1KMT2A
SCHEMBL15505756 0.76 PLK1 (0.64) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL16127889 0.76 APEX1 (0.77) HPGDALDH1A1MEN1KMT2ATP53
SCHEMBL4569297 0.76 HPGD (0.69) HPGDALDH1A1TP53NPC1RAB9A
SCHEMBL347919 0.75 PTGS2 (0.76) HPGDALDH1A1KDM4EKMT2ARXFP1
SCHEMBL23984534 0.75 HPGD (0.67) HPGDALDH1A1KMT2ATP53NPC1
SCHEMBL19746688 0.75 HPGD (0.67) EGLN1HPGDALDH1A1MEN1KMT2A
SCHEMBL29433999 0.75 HPGD (0.74) HPGDALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 WO disclosed
WO-2010047318-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME 国立大学法人京都大学 (JP) 2010-04-29 WO 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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 EGLN1 2228/4885HPGD 1393/4885ALDH1A1 976/4885

“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.