SCHEMBL5454295

SCHEMBL5454295

Cc1ccc2c(c1)[n+]([O-])nc(NCCCN(C)CCCNC(=O)C(F)(F)F)[n+]2[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GSTO1 P78417 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
NQO2 P16083 3/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
APAF1 O14727 1/20 0.32
RAD52 P43351 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL5456742 0.96 CA14 (0.36) CA14ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5452818 0.88 CA12 (0.43) CA14ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5457125 0.84 BRD4 (0.38) NQO2MTNR1AMTNR1BBRD4
SCHEMBL5461484 0.83 SMN1; SMN2 (0.35) CA14ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5456913 0.82 IDO1 (0.35) CA14ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5457498 0.80 CA12 (0.44) CA14ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5455149 0.79 HDAC1 (0.46) ALDH1A1SMN1; SMN2MAPTRAD52POLB
SCHEMBL5450873 0.79 CA12 (0.43) CA14ALDH1A1SMN1; SMN2GLAHPGD
SCHEMBL5450914 0.78 RAD52 (0.41) ALDH1A1SMN1; SMN2MAPTRAD52POLB
SCHEMBL5462110 0.78 CA12 (0.47) CA14ALDH1A1SMN1; 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 CA14 863/4885ALDH1A1 709/4885SMN1; SMN2 4159/4885

“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.