SCHEMBL3436845

SCHEMBL3436845

CCCNC(=O)c1csc(N2CC[C@H](F)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.41
GAA P10253 1/20 0.41
DNM1L O00429 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 2/20 0.37
SLC8A1 P32418 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL3436607 0.88 ACKR3 (0.42) ACKR3GAAKDM4EHPGDHSD17B10
SCHEMBL3436605 0.88 ACKR3 (0.42) ACKR3GAAKDM4EHPGDHSD17B10
SCHEMBL3436588 0.86 ACKR3 (0.43) ACKR3GAAKDM4EHPGDHSD17B10
SCHEMBL3436842 0.85 HRH3 (0.44) ACKR3GAAKDM4EHPGDHSD17B10
SCHEMBL3436864 0.84 ACKR3 (0.41) ACKR3GAAKDM4EHPGDHSD17B10
SCHEMBL3436586 0.82 POLB (0.47) GAADNM1LHPGDMEN1POLB
SCHEMBL3436606 0.81 HRH3 (0.48) ACKR3GAAKDM4EHPGDHSD17B10
SCHEMBL3436849 0.80 GAA (0.42) ACKR3GAAHRH3SLC8A1MEN1
SCHEMBL3436416 0.80 L3MBTL1 (0.53) KMT2A
SCHEMBL15888539 0.79 GAA (0.50) GAAHPGDHRH3MEN1POLB

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 ACKR3 224/4885GAA 3904/4885DNM1L 2818/4885

“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.