SCHEMBL5004567

SCHEMBL5004567

O=[N+]([O-])c1cccc(-c2ccccc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTPRC P08575 1/20 0.54
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPBWR1 P48145 1/20 0.49
CYP2A6 P11509 1/20 0.48
TDP2 O95551 1/20 0.48
POLB P06746 1/20 0.48
SCN2A Q99250 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL28770354 0.89 HPRT1 (0.52) ALDH1A1TDP1PTPRCLMNATSHR
SCHEMBL28043433 0.86 CYP19A1 (0.54) ALDH1A1TDP1PTPRCLMNATSHR
SCHEMBL30469330 0.83 ALDH1A1 (0.61) ALDH1A1TDP1LMNATSHRMAPT
SCHEMBL20557569 0.83 ALDH1A1 (0.61) ALDH1A1TDP1LMNATSHRMAPT
Nitrogen SCHEMBL27281424 0.83 CYP19A1 (0.50) ALDH1A1TDP1PTPRCLMNATSHR
SCHEMBL5418627 0.82 ALDH1A1 (0.58) ALDH1A1TDP1LMNATSHRMAPT
SCHEMBL6647084 0.81 ALDH1A1 (0.57) ALDH1A1TDP1PTPRCLMNATSHR
SCHEMBL8051514 0.81 ALDH1A1 (0.67) ALDH1A1TDP1PTPRCLMNATSHR
SCHEMBL5003972 0.80 CYP2A6 (0.54) ALDH1A1TDP1PTPRCLMNAMAPT
SCHEMBL11564194 0.80 ALDH1A1 (0.47) ALDH1A1TDP1PTPRCLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
CN-101076496-A Transition metal-magnetic iron oxide nanocomposite and preparation method and application thereof UNIV BEIJING (CN) 2007-11-21 CN disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF ALDH1A1 4411/4885TDP1 2083/4885PTPRC 507/4885

“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.