SCHEMBL5458012

SCHEMBL5458012

Cc1cccc2nc3cccc(C(=O)n4ccnc4)c3nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ELANE P08246 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TBXAS1 P24557 1/20 0.33
RAD52 P43351 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL5449147 0.87 ALDH1A1 (0.54) MAPTCYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL5455679 0.85 LMNA (0.41) LMNAALDH1A1MEN1KMT2AELANE
SCHEMBL2011181 0.79 LMNA (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL15763697 0.79 ELANE (0.55) CYP2C19CYP2C9LMNAALDH1A1MEN1
SCHEMBL5462961 0.75 HDAC1 (0.41) MAPTCYP1A2CYP2C19LMNAALDH1A1
SCHEMBL5457153 0.74 ALDH1A1 (0.69) MAPTCYP1A2CYP2C19CYP2C9LMNA
SCHEMBL30366356 0.74 FAAH (0.44) MAPTLMNAALDH1A1ELANETBXAS1
SCHEMBL7564139 0.73 PARP1 (0.53) MAPTCYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL28345812 0.73 MAPT (0.51) MAPTCYP1A2CYP2C19CYP2C9LMNA
SCHEMBL8415083 0.73 MAPT (0.51) MAPTCYP1A2CYP2C19CYP2C9LMNA

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 MAPT 4090/4885CYP1A2 1241/4885CYP2C19 2339/4885

“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.