SCHEMBL8996016

SCHEMBL8996016

CCNC(=O)c1ncnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.38
CHIA Q9BZP6 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
BRD4 O60885 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MAPK14 Q16539 2/20 0.35
MARK3 P27448 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL12495652 0.79 BAZ2B (0.42) MAPTTHRBBRD4MAPK14KMT2A
SCHEMBL8950280 0.78 BRD4 (0.38) MAP4K4CHIABRD4MMP1MMP2
SCHEMBL404126 0.72
SCHEMBL752509 0.71 CYP1A2 (0.41) MAP4K4MAPTKDM4EHSD17B10LMNA
SCHEMBL21348777 0.70 SMN1; SMN2 (0.53) MAPTTHRBKMT2AL3MBTL1LMNA
SCHEMBL12256544 0.69 MARK3 (0.38) CHIAMAPTTHRBBRD4MARK3
SCHEMBL22431263 0.69 CHIA (0.36) CHIAMAPTTHRBBRD4MARK3
SCHEMBL25458163 0.68 KDM4E (0.33) MAPTTHRBKMT2AKDM4ENPSR1
SCHEMBL15139623 0.68 KMT2A (0.33) MAPTTHRBKMT2AKDM4ENPSR1
SCHEMBL21657735 0.68 MAPT (0.40) CHIAMAPTTHRBBRD4L3MBTL1

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-8188085-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-05-29 US disclosed
US-20100113439-A1 Antifungal agents MERCK & CO., INC. (US) 2010-05-06 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-20100113439-A1 Antifungal agents GMDS, GBA3, UGGT1 MAP4K4 2380/4885CHIA 266/4885MAPT 1875/4885

“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.