SCHEMBL5456923

SCHEMBL5456923

CN(CCCNC(=O)C(F)(F)F)CCCNc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GSTO1 P78417 1/20 0.35
KDM1A O60341 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34

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
SCHEMBL5449949 0.92 IDO1 (0.39) IDO1TMEM97SIGMAR1OPRM1OPRK1
SCHEMBL5456625 0.90 IDO1 (0.48) IDO1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5455035 0.89 IDO1 (0.41) IDO1TMEM97SIGMAR1OPRM1OPRK1
SCHEMBL5456913 0.89 IDO1 (0.35) IDO1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5461484 0.87 SMN1; SMN2 (0.35) IDO1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5455225 0.86 TMEM97 (0.38) IDO1TMEM97SIGMAR1OPRM1OPRK1
SCHEMBL5452818 0.83 CA12 (0.43) TMEM97SIGMAR1OPRM1OPRK1ALDH1A1
SCHEMBL14428388 0.83 BRD4 (0.40)
SCHEMBL14428372 0.81 BCHE (0.38) IDO1NPC1RAB9AKDM1AEHMT2
SCHEMBL5455041 0.80 ALDH1A1 (0.36) IDO1ALDH1A1SMN1; SMN2GLAHPGD

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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
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 924/4885TMEM97 1008/4885SIGMAR1 1253/4885

“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.