SCHEMBL1606273

SCHEMBL1606273

Cn1c(B(O)O)cc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC7 O00311 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK1 Q13464 1/20 0.38
ATM Q13315 1/20 0.36
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
MAPT P10636 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MEN1 O00255 1/20 0.33
HCRTR1 O43613 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR7 P34969 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
SCHEMBL29957181 1.00 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL29953078 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10ATM
SCHEMBL1605841 0.79 CDC7 (0.38) KDM4ECDC7CDK2ROCK1HTR2C
SCHEMBL29951841 0.79 CDC7 (0.38) KDM4ECDC7CDK2ROCK1HTR2C
SCHEMBL29955182 0.76 DAO (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL411586 0.76 DAO (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL29950789 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18000385 0.73 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL35212138 0.71 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL31601069 0.70 NR1H2 (0.38)

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-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 KDM4E 3921/4885ALDH1A1 93/4885HPGD 546/4885

“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.