SCHEMBL3436604

SCHEMBL3436604

Cc1cc(F)ccc1N1CCC(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.52
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.43
GAA P10253 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.42
AVPR1A P37288 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL2073619 0.85 NOTUM (0.56) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL2073585 0.84 NOTUM (0.61) NOTUMTDP1LMNAHSD11B1
SCHEMBL3436603 0.82 ALDH1A1 (0.60) KDM4EHPGDTDP1
SCHEMBL4436054 0.82 GAA (0.58) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL2070466 0.82 NOTUM (0.63) NOTUMKDM4EHSD17B10USP2HPGD
Hydrochloric Acid SCHEMBL5427235 0.81 GAA (0.59) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL3436545 0.80 TP53 (0.50) KDM4EGAALMNASMN1; SMN2CYP2C19
SCHEMBL3436583 0.80 HTR3E (0.57) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL18503838 0.79 KDM4E (0.50) NOTUMKDM4EHSD17B10USP2HPGD
SCHEMBL3436316 0.78 TSHR (0.58) NOTUMKDM4EHSD17B10USP2HPGD

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 NOTUM 3349/4885KDM4E 1834/4885HSD17B10 4247/4885

“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.