SCHEMBL14007403

SCHEMBL14007403

COc1cc(N([O-])O)ccc1[N+]#N

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 1/20 0.30
GFER P55789 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL4600735 0.81 NQO2 (0.41) LMNAMEN1CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL10586111 0.79 NQO2 (0.40) LMNAMEN1CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL9803384 0.78 NQO2 (0.39) LMNAMEN1CYP1A2CYP3A4TSHR
SCHEMBL3316223 0.77 ALDH1A1 (0.54) LMNAMEN1CYP3A4TSHRKMT2A
Hydrochloric Acid SCHEMBL9859387 0.77 NQO2 (0.38) LMNAMEN1CYP1A2CYP3A4TSHR
SCHEMBL14556505 0.75 ALDH1A1 (0.39) LMNAMEN1CYP1A2CYP3A4TSHR
SCHEMBL11199104 0.75 SLC16A3 (0.47) MEN1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL8497623 0.74 CA1 (0.56) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL10837346 0.73 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL8498491 0.73 CA1 (0.54) MEN1CYP1A2CYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) GLAXO GROUP LIMITED (GB) 2008-11-13 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-20080280911-A1 Cinnoline Compounds as Inhibitors of Phosphodiesterase Type IV (Pde4) PDE4A, PDE4B, PDE3B LMNA 1862/4885MEN1 921/4885CYP1A2 538/4885

“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.