SCHEMBL3613469

SCHEMBL3613469

C=Cc1c(C)nn(-c2ccccc2)c1Oc1cc(O)c(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
ALDH1A1 P00352 6/20 0.39
HTT P42858 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 7/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 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
SCHEMBL3609212 0.83 MAPT (0.44) LMNASMN1; SMN2TP53NPY1RNPY2R
SCHEMBL3607161 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HTTMAPT
SCHEMBL3617677 0.79 LMNA (0.36) LMNASMN1; SMN2MAPTALOX15RAB9A
SCHEMBL3613504 0.76 RECQL (0.41) SMN1; SMN2ALDH1A1NPSR1RECQL
SCHEMBL3609174 0.70 FPR2 (0.31)
SCHEMBL3609801 0.69 SMN1; SMN2 (0.55) LMNASMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL3613082 0.69
SCHEMBL3617460 0.69 CYP1A2 (0.39) SMN1; SMN2ALDH1A1GAAMAPTALOX15
SCHEMBL3617457 0.69 CYP1A2 (0.39) SMN1; SMN2ALDH1A1GAAMAPTALOX15
SCHEMBL3610722 0.68 SMN1; SMN2 (0.40) SMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R LMNA 4306/4885SMN1; SMN2 4515/4885TP53 1892/4885

“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.