SCHEMBL5456625

SCHEMBL5456625

O=C(NCCCCCCNc1nc2ccccc2[n+]([O-])n1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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 0.90 IDO1 (0.43) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5455035 0.89 IDO1 (0.41) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5449949 0.85 IDO1 (0.39) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5450923 0.82 IDO1 (0.46) IDO1ALDH1A1GLAHPGDPOLB
SCHEMBL5462110 0.81 CA12 (0.47) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5455041 0.79 ALDH1A1 (0.36) IDO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5456913 0.78 IDO1 (0.35) IDO1ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL14428353 0.78 KCNH3 (0.47) IDO1SMN1; SMN2BCHEACHE
SCHEMBL14428355 0.78 NPY1R (0.44) IDO1ACHE
SCHEMBL14428356 0.78 IDO1 (0.60) IDO1BCHEBRD4

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 3 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
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 WO 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 924/4885MEN1 3511/4885KMT2A 192/4885

“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.