SCHEMBL3878461

SCHEMBL3878461

Cn1cncc1C(=O)N1CCC(c2nc3c(s2)CCN(C2CCC2)CC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.44
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC9A1 P19634 1/20 0.40
CYP11B1 P15538 1/20 0.35
L3MBTL3 Q96JM7 5/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
AURKB Q96GD4 1/20 0.32
CNR1 P21554 2/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL3880590 0.85 HSD11B1 (0.41) CYP3A4CYP2C9CYP2C19UBE2MDCUN1D1
SCHEMBL3880911 0.83 RBP4 (0.43) RBP4CYP3A4CYP2C9CYP2C19SLC9A1
SCHEMBL3879089 0.81 KDM4E (0.51) CYP3A4CYP2C9CYP2C19L3MBTL3L3MBTL1
SCHEMBL3878472 0.81 RBP4 (0.44) RBP4L3MBTL3L3MBTL1PIK3CDPIK3CA
SCHEMBL3881503 0.81 L3MBTL3 (0.37) L3MBTL3L3MBTL1UBE2MDCUN1D1ALDH1A1
SCHEMBL3879400 0.81 L3MBTL3 (0.40) CYP3A4CYP2C9CYP2C19L3MBTL3L3MBTL1
SCHEMBL3882382 0.80 L3MBTL3 (0.44) CYP3A4CYP2C9CYP2C19L3MBTL3L3MBTL1
SCHEMBL3880543 0.80 MGLL (0.35) CYP3A4CYP2C9CYP2C19L3MBTL3L3MBTL1
SCHEMBL3885754 0.80 POLB (0.41) L3MBTL3L3MBTL1UBE2MDCUN1D1ALDH1A1
SCHEMBL3879360 0.80 UBE2M (0.55) CYP3A4CYP2C9CYP2C19L3MBTL3L3MBTL1

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
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 RBP4 3396/4885CYP3A4 2320/4885CYP2C9 3356/4885

“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.