SCHEMBL5456913

SCHEMBL5456913

Cc1ccc2nc(NCCCN(C)CCCNC(=O)C(F)(F)F)n[n+]([O-])c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GSTO1 P78417 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CA14 Q9ULX7 1/20 0.34
TP53 P04637 2/20 0.34
APAF1 O14727 1/20 0.33
RAD52 P43351 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33

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
SCHEMBL5461484 0.94 SMN1; SMN2 (0.35) IDO1BRD4ALDH1A1HPGDSMN1; SMN2
SCHEMBL5459984 0.89 KDM4E (0.39) IDO1BRD4ALDH1A1HPGDSMN1; SMN2
SCHEMBL5456923 0.89 IDO1 (0.43) IDO1ALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL14428388 0.85 BRD4 (0.40) BRD4FGFR1FGFR2FGFR4FGFR3
SCHEMBL5452981 0.82 KDM4E (0.38) IDO1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5454295 0.82 CA14 (0.36) BRD4ALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL5456742 0.82 CA14 (0.36) BRD4ALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL5449949 0.81 IDO1 (0.39) IDO1ALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL5455035 0.78 IDO1 (0.41) IDO1ALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL5456625 0.78 IDO1 (0.48) IDO1BRD4ALDH1A1HPGDSMN1; SMN2

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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 IDO1 924/4885BRD4 37/4885ALDH1A1 709/4885

“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.