SCHEMBL5530240

SCHEMBL5530240

COc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(OC)c(OC)c4)nc4ccccc34)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.83
WNK1 Q9H4A3 1/20 0.75
KMT2A Q03164 2/20 0.72
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
RAB9A P51151 5/20 0.66
POLB P06746 1/20 0.66
TDP1 Q9NUW8 1/20 0.65
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
NPC1 O15118 3/20 0.61
TP53 P04637 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TRPV1 Q8NER1 1/20 0.59
MEN1 O00255 1/20 0.58

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
SCHEMBL8237346 0.93 BCHE (0.80) BCHEWNK1KMT2AKDM4EALDH1A1
SCHEMBL14437452 0.88 KMT2A (0.69) BCHEWNK1KMT2AKDM4EALDH1A1
SCHEMBL5527489 0.87 ACACB (0.79) BCHEWNK1KMT2AKDM4EALDH1A1
SCHEMBL5534950 0.86 KDM4E (0.89) BCHEKMT2AKDM4EALDH1A1HPGD
SCHEMBL5532737 0.86 KMT2A (0.74) BCHEWNK1KMT2AKDM4EALDH1A1
SCHEMBL8237905 0.84 KMT2A (0.84) BCHEKMT2AKDM4EALDH1A1HPGD
SCHEMBL8237823 0.81 BCHE (0.65) BCHEWNK1KMT2AKDM4EALDH1A1
SCHEMBL5529559 0.81 KMT2A (0.83) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL29788461 0.77 DHODH (0.81) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL42477 0.77 DHODH (0.81) KMT2AKDM4EALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 BCHE 1468/4885WNK1 2661/4885KMT2A 2807/4885

“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.