SCHEMBL5458010

SCHEMBL5458010

CN(CCCNC(=O)C(F)(F)F)CCCc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GSTO1 P78417 1/20 0.38
TMEM97 Q5BJF2 6/20 0.37
SIGMAR1 Q99720 6/20 0.37
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
ACKR3 P25106 2/20 0.34
EPHX1 P07099 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
CA12 O43570 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
SCHEMBL5452818 0.87 CA12 (0.43) NPC1MAPTRAB9AGSTO1TMEM97
SCHEMBL5455225 0.84 TMEM97 (0.38) NPC1MAPTRAB9AGSTO1TMEM97
SCHEMBL5457498 0.80 CA12 (0.44) NPC1MAPTRAB9AGSTO1CA14
SCHEMBL5456923 0.80 IDO1 (0.43) NPC1MAPTRAB9AGSTO1TMEM97
SCHEMBL5469483 0.78 HDAC1 (0.51) MAPTTMEM97SIGMAR1ALDH1A1MEN1
SCHEMBL5450909 0.77 RAD52 (0.45) MAPTTMEM97SIGMAR1ALDH1A1MEN1
SCHEMBL5450873 0.76 CA12 (0.43) NPC1MAPTRAB9AGSTO1TMEM97
SCHEMBL14428389 0.76 SIGMAR1 (0.36) SIGMAR1CA12CA1CA2CA9
SCHEMBL5454295 0.75 CA14 (0.36) NPC1MAPTRAB9AGSTO1TMEM97
SCHEMBL5456742 0.75 CA14 (0.36) NPC1MAPTRAB9AGSTO1TMEM97

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 NPC1 2831/4885MAPT 4090/4885RAB9A 4418/4885

“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.