SCHEMBL17786309

SCHEMBL17786309

CCN(CC)Cc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH3A1 P30838 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6356240 0.88 SMN1; SMN2 (0.49) ATMTDP1CYP1A2CYP2D6CYP2C9
SCHEMBL29490181 0.82 TDP1 (0.58) ATMTDP1ALDH1A1MAPTPOLB
SCHEMBL76729 0.82 TDP1 (0.58) ATMTDP1ALDH1A1MAPTPOLB
SCHEMBL12208065 0.82 TDP1 (0.58) ATMTDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17786316 0.81 MAPT (0.51) TDP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11967591 0.79 ATM (0.55) ATMTDP1ALDH1A1MAPTHIF1A
SCHEMBL14180498 0.76 TDP1 (0.55) ATMTDP1ALDH1A1MAPTPOLB
SCHEMBL27796872 0.76 TDP1 (0.55) ATMTDP1ALDH1A1MAPTPOLB
SCHEMBL16654285 0.75 ATM (0.50) ATMTDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11439528 0.75 TDP1 (0.58) ATMTDP1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3223821-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-04 EP disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
US-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-07 US disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 WO disclosed
WO-2016083276-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-02 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-20170253602-A1 SUBSTITUTED PYRIDOBENZODIAZEPINONE-DERIVATIVES AND USE THEREOF BDKRB2, BDKRB1, PDGFRB ATM 2300/4885TDP1 1545/4885CYP1A2 647/4885

“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.