SCHEMBL3752019

SCHEMBL3752019

COc1nc(C)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
MERTK Q12866 1/20 0.35
PIN1 Q13526 2/20 0.33
DAPK3 O43293 1/20 0.33
PLK1 P53350 1/20 0.33
HASPIN Q8TF76 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PLK2 Q9NYY3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL3666271 0.97 MAPT (0.38) MAPTALDH1A1HTTLMNATDP1
SCHEMBL9124111 0.89 ALDH1A1 (0.44) MAPTALDH1A1HTTLMNATDP1
SCHEMBL3668058 0.87 ALDH1A1 (0.45) MAPTALDH1A1HTTLMNATDP1
SCHEMBL502077 0.82 MAPT (0.54) MAPTALDH1A1HTTLMNATDP1
SCHEMBL21076823 0.79 MAPT (0.40) MAPTALDH1A1HTTLMNATDP1
SCHEMBL7077196 0.77 MAPT (0.43) MAPTALDH1A1TDP1TSHRPOLB
SCHEMBL56358 0.77 MAPT (0.50) MAPTALDH1A1TDP1TSHRMEN1
SCHEMBL4627824 0.77 MAPT (0.42) MAPTALDH1A1HTTTDP1TSHR
SCHEMBL6355485 0.76 PKM (0.43) MAPTALDH1A1HTTLMNATDP1
SCHEMBL9123786 0.74 ALDH1A1 (0.38) MAPTALDH1A1HTTLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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 (2 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 MAPT 4205/4885ALDH1A1 2741/4885HTT 1786/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 MAPT 4194/4885ALDH1A1 4352/4885HTT 1520/4885

“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.