SCHEMBL3483763

SCHEMBL3483763

O=[N+]([O-])c1ccc(Oc2ccc3cn[nH]c3c2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
LMNA P02545 5/20 0.63
NOS1 P29475 3/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX15 P16050 1/20 0.63
KDM4E B2RXH2 2/20 0.57
PDE7A Q13946 1/20 0.56
MAOB P27338 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
GAA P10253 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
GPR55 Q9Y2T6 1/20 0.43
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL13288378 0.91 MAPT (0.63) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL13288379 0.86 MAPT (0.63) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL27975732 0.83 MAPT (0.70) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL3484765 0.81 KDM4E (0.59) MAPTLMNACYP3A4KDM4EPDE7A
SCHEMBL2933011 0.79 NOS1 (0.52) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL271522 0.79 MAPT (1.00) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL29394925 0.79 MAPT (1.00) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL3485196 0.79 KDM4E (0.58) MAPTNOS1KDM4EPDE7AMAOB
SCHEMBL6725914 0.78 PDE7A (0.66) MAPTLMNACYP3A4KDM4EPDE7A
SCHEMBL27671367 0.77 MAPT (0.97) MAPTLMNANOS1CYP3A4ALOX15

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 MAPT 4025/4885LMNA 4738/4885NOS1 420/4885

“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.