SCHEMBL5449147

SCHEMBL5449147

O=C(c1cccc2nc3ccccc3nc12)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 5/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL5458012 0.87 MAPT (0.42) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL5462961 0.85 HDAC1 (0.41) ALDH1A1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL30366356 0.81 FAAH (0.44) ALDH1A1MAPTNPSR1CYP3A4FAAH
SCHEMBL3535265 0.80 TBXAS1 (0.42) ALDH1A1MAPTCYP1A2CYP2C19KMT2A
SCHEMBL10118094 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL7824907 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1FAAHMGLLDHODH
SCHEMBL3536795 0.75 DHODH (0.42) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL10506862 0.74 KMT2A (0.48) ALDH1A1MAPTHTTKMT2ARAB9A
SCHEMBL16486800 0.74 TBXAS1 (0.42) ALDH1A1MAPTNPSR1RAB9AGAA
SCHEMBL31664989 0.74 ALDH1A1 (0.50) ALDH1A1HTTKMT2AMEN1L3MBTL1

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
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 ALDH1A1 709/4885MAPT 4090/4885CYP1A2 1241/4885

“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.