SCHEMBL3556057

SCHEMBL3556057

Cc1csc(N2CCC[C@@H]2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
HRH3 Q9Y5N1 2/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
DNM1L O00429 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL10136902 0.95 ALDH1A1 (0.49) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL13634279 0.80 DNM1L (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL13999772 0.78 ALDH1A1 (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL3550331 0.77 PTGER1 (0.46) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL24375495 0.76 IRAK4 (0.41) L3MBTL1SMN1; SMN2LMNA
SCHEMBL13161911 0.76 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL10136897 0.74 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL15888536 0.74 SMN1; SMN2 (0.50) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL20548132 0.74 DNM1L (0.47) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL21875300 0.74 DNM1L (0.47) L3MBTL1MEN1KMT2AALDH1A1HPGD

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-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

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 L3MBTL1 3267/4885MEN1 4778/4885KMT2A 1707/4885

“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.