SCHEMBL5578232

SCHEMBL5578232

O=C(Nc1cnc2ccccc2c1)c1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.67
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MITF O75030 1/20 0.60
XBP1 P17861 1/20 0.60
PAX8 Q06710 1/20 0.60
KLF5 Q13887 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TMPRSS4 Q9NRS4 1/20 0.58
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL5578096 0.87 NPC1 (0.81) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL935558 0.83 NPC1 (0.70) KDRNPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6084063 0.82 SMN1; SMN2 (0.71) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL995474 0.80 KDR (1.00) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL4472797 0.79 KDR (0.68) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL19616459 0.79 KDR (0.81) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL29647749 0.79 KDR (0.81) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL27866684 0.79 NPC1 (0.80) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL5263150 0.78 KDR (0.63) KDRNPC1RAB9AKDM4EALDH1A1
SCHEMBL651159 0.77 KDR (0.74) KDRNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232572-A1 Chemical derivatives as antitelomerase agents which bind specifically to the G-quadruplex DNA structures and their application as a specific anticancer agent AVENTIS PHARMA S.A. (FR) 2007-10-04 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-20070232572-A1 Chemical derivatives as antitelomerase agents which bind specifically to the G-quadruplex DNA structures and their application as a specific anticancer agent DDX21, DNASE1L3, NTPCR KDR 3803/4885NPC1 4317/4885RAB9A 3961/4885

“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.