SCHEMBL3435703

SCHEMBL3435703

CCOC(=O)C1CCN(c2ncccc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
LGMN Q99538 2/20 0.56
CYP2C19 P33261 1/20 0.56
CTSB P07858 1/20 0.53
GAA P10253 1/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 2/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 2/20 0.50

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
SCHEMBL3594750 0.88 MAPT (0.59) MAPTCYP2C19CTSBGAAKMT2A
SCHEMBL16648570 0.86 MAPT (0.64) MAPTCYP2C19CTSBGAAKMT2A
SCHEMBL4533155 0.86 MALT1 (0.54) KMT2AKDM4ESMN1; SMN2MALT1MEN1
SCHEMBL1253240 0.82 ALDH1A1 (0.59) MAPTCYP2C19CTSBGAAKDM4E
SCHEMBL3436721 0.81 ALOX15 (0.58) MAPTCYP2C19CTSBGAAKMT2A
SCHEMBL4255322 0.81 CTSB (0.68) MAPTCYP2C19CTSBKMT2AALDH1A1
SCHEMBL4524152 0.80 NEK2 (0.67) MAPTCYP2C19KMT2AKDM4EALDH1A1
SCHEMBL2080112 0.80 KDM4E (0.67) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL195417 0.80 KDM4E (0.60) MAPTCYP2C19CTSBGAAKMT2A
SCHEMBL2080093 0.80 LGMN (0.71) MAPTLGMNGAAKMT2AKDM4E

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MAPT 1330/4885LGMN 3912/4885CYP2C19 1395/4885

“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.