SCHEMBL6753935

SCHEMBL6753935

CCC(C)c1nc2ccc(C)c(C)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.38
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE2A O00408 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CYP1A2 P05177 3/20 0.33
AAK1 Q2M2I8 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6757192 0.83 KDM4E (0.42) SCN10APDE3BPDE3APDE2AP2RY12
SCHEMBL6756258 0.81 ELANE (0.36) SCN10APDE3BPDE3AHTTALDH1A1
SCHEMBL6515025 0.80 CYP1A2 (0.53) SCN10APDE3BPDE3APDE2AP2RY12
SCHEMBL6756286 0.78 ADORA3 (0.37) SCN10AALDH1A1KDM4E
SCHEMBL6985646 0.76 SCN10A (0.37) SCN10ACYP1A2AAK1HTTMEN1
SCHEMBL6753933 0.74 CBFB (0.42) SCN10APDE3BPDE3APDE2AP2RY12
SCHEMBL9847095 0.73 ADORA1 (0.46) PDE3BPDE3APDE2AP2RY12HTT
SCHEMBL6756157 0.72 KDM4E (0.48) PDE3BPDE3APDE2AP2RY12AAK1
SCHEMBL12599167 0.72 SCN10A (0.39) SCN10ACYP1A2AAK1HTTMEN1
SCHEMBL353027 0.71 ALDH1A1 (0.41) PDE3BPDE3APDE2AP2RY12MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed
US-20030141351-A1 Water-soluble preflux, printed circuit board, and process for treating the surface of a metal in a printed circuit board TAMURA CORPORATION (JP) 2003-07-31 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-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 SCN10A 3312/4885PDE3B 734/4885PDE3A 784/4885

“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.