SCHEMBL5452818

SCHEMBL5452818

CN(CCCNC(=O)C(F)(F)F)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
CA14 Q9ULX7 1/20 0.37
TMEM97 Q5BJF2 6/20 0.36
SIGMAR1 Q99720 5/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GSTO1 P78417 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACKR3 P25106 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
SCHEMBL5457498 0.92 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL5450873 0.90 CA12 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL5462110 0.89 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL5456742 0.88 CA14 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL5454295 0.88 CA14 (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL5458010 0.87 NPC1 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL5456923 0.83 IDO1 (0.43) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL5457125 0.82 BRD4 (0.38) MTNR1AMTNR1BNQO2
SCHEMBL5450895 0.82 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL14428375 0.80 CA12 (0.49) CA12CA1CA2CA9NPC1

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 CA12 1186/4885CA1 661/4885CA2 21/4885

“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.