SCHEMBL5455225

SCHEMBL5455225

CN(CCCNC(=O)C(F)(F)F)CCCc1nc2ccccc2[n+]([O-])n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.38
SIGMAR1 Q99720 4/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GSTO1 P78417 1/20 0.37
HTT P42858 1/20 0.36
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
CA14 Q9ULX7 1/20 0.34
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5456923 0.86 IDO1 (0.43) TMEM97SIGMAR1OPRM1OPRK1MAPT
SCHEMBL5458010 0.84 NPC1 (0.38) TMEM97SIGMAR1OPRM1OPRK1MAPT
SCHEMBL5449949 0.80 IDO1 (0.39) TMEM97SIGMAR1OPRM1OPRK1MAPT
SCHEMBL14428391 0.79 TP53 (0.35) SIGMAR1MAPTTP53RXFP1POLB
SCHEMBL5452818 0.79 CA12 (0.43) TMEM97SIGMAR1OPRM1OPRK1MAPT
Hydrochloric Acid SCHEMBL6674090 0.75 RAD52 (0.40) SIGMAR1NPC1RAB9AHTTALDH1A1
SCHEMBL5455035 0.75 IDO1 (0.41) TMEM97SIGMAR1OPRM1OPRK1MAPT
SCHEMBL5456913 0.75 IDO1 (0.35) MAPTNPC1RAB9AGSTO1HTT
SCHEMBL5456625 0.75 IDO1 (0.48) CA14IDO1ALDH1A1POLBSMN1; SMN2
SCHEMBL5461484 0.74 SMN1; SMN2 (0.35) MAPTNPC1RAB9AGSTO1TP53

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 TMEM97 1008/4885SIGMAR1 1253/4885OPRM1 1736/4885

“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.