SCHEMBL13097884

SCHEMBL13097884

Cc1cc2nc3ccc(N)cc3[s+]c2cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.44
TERT O14746 1/20 0.43
CASP1 P29466 3/20 0.42
KDM4E B2RXH2 5/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
HTT P42858 2/20 0.37
F2 P00734 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAOA P21397 1/20 0.37
DRD1 P21728 1/20 0.37
ACHE P22303 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL9609739 0.87 APAF1 (0.44) APAF1TERTKDM4ESMN1; SMN2MEN1
SCHEMBL30165715 0.84 KMT2A (0.50) CASP1KDM4ELMNAPOLBCASP6
SCHEMBL146313 0.84 KMT2A (0.50) CASP1KDM4ELMNAPOLBCASP6
Hydrochloric Acid SCHEMBL40555 0.82 MAPT (0.50) CASP1KDM4ELMNAPOLBCASP6
Iodide SCHEMBL11279046 0.82 KMT2A (0.48) CASP1KDM4ELMNAPOLBCASP6
SCHEMBL13097886 0.81 APAF1 (0.40) APAF1TERTCASP1KDM4EPOLB
Tolonium SCHEMBL2626791 0.81 APAF1 (0.66) APAF1TERTKDM4ESMN1; SMN2MEN1
SCHEMBL12620639 0.81 KDM4E (0.43) CASP1KDM4ELMNAPOLBCASP6
Tolonium SCHEMBL30495506 0.80 APAF1 (0.64) APAF1TERTKDM4ESMN1; SMN2MEN1
Tolonium SCHEMBL122592 0.80 APAF1 (0.64) APAF1TERTKDM4ESMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256125-A1 USE OF IMPROVED TOLUIDINE BLUE IN PHOTODYNAMIC THERAPY ZILA PHARMACEUTICALS, INC. (US) 2010-10-07 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-20100256125-A1 USE OF IMPROVED TOLUIDINE BLUE IN PHOTODYNAMIC THERAPY TET1, KDM2B, KDM5B APAF1 2736/4885TERT 228/4885CASP1 1707/4885

“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.