SCHEMBL3435574

SCHEMBL3435574

COC(=O)[C@H]1CN(c2ccccc2N)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.58
NR1H3 Q13133 6/20 0.58
HDAC1 Q13547 2/20 0.46
ADRA2C P18825 1/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPN1 P18031 1/20 0.39
UCHL1 P09936 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAP4K4 O95819 1/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL3435108 1.00 NR1H2 (0.58) NR1H2NR1H3HDAC1ADRA2CSMARCA2
SCHEMBL3436428 0.89 NR1H2 (0.60) NR1H2NR1H3MEN1KMT2APTPN1
SCHEMBL3436429 0.89 NR1H2 (0.60) NR1H2NR1H3MEN1KMT2APTPN1
SCHEMBL13156567 0.86 NR1H2 (0.53) NR1H2NR1H3HDAC1PTPN1UCHL1
SCHEMBL13156616 0.86 NR1H2 (0.53) NR1H2NR1H3HDAC1PTPN1UCHL1
SCHEMBL25054060 0.85 NR1H2 (0.59) NR1H2NR1H3UCHL1
SCHEMBL30386832 0.85 NR1H2 (0.59) NR1H2NR1H3UCHL1
SCHEMBL3436146 0.84 NR1H2 (0.56) NR1H2NR1H3MEN1KMT2ALMNA
SCHEMBL3435511 0.84 NR1H2 (0.56) NR1H2NR1H3MEN1KMT2ALMNA
SCHEMBL12324594 0.84 NR1H2 (0.72) NR1H2NR1H3MEN1KMT2APTPN1

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 4 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

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 NR1H2 1846/4885NR1H3 2082/4885HDAC1 372/4885

“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.