SCHEMBL5848445

SCHEMBL5848445

Nc1cc(N2CCSCC2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.54
PLK4 O00444 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
NOS3 P29474 4/20 0.38
NOS2 P35228 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NOS1 P29475 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
GCK P35557 1/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.36
S100B P04271 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
SCHEMBL1097561 0.83 CHKA (0.52) ALDH1A1ALOX15HSD17B10MAPTTHRB
SCHEMBL16212228 0.83 HRH4 (0.47) ALDH1A1ALOX15HSD17B10MAPTTHRB
SCHEMBL6262576 0.81 HRH4 (0.54) ALDH1A1ALOX15HSD17B10MAPTTHRB
SCHEMBL5847761 0.81 HRH4 (0.54) ALDH1A1ALOX15HSD17B10MAPTTHRB
SCHEMBL3173446 0.79 GAA (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30321663 0.79 LGMN (0.53) LGMNPLK4ALOX15MAPK10MAPT
SCHEMBL114416 0.79 LGMN (0.53) LGMNPLK4ALOX15MAPK10MAPT
SCHEMBL6643085 0.79 ADRB2 (0.56) THRBHRH4HTTCHEK1
Hydrochloric Acid SCHEMBL4301140 0.77 LGMN (0.51) LGMNPLK4ALOX15MAPK10MAPT
SCHEMBL21590373 0.77 HRH3 (0.53) ALOX15NOS3NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
EP-1572690-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO 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-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL LGMN 3968/4885PLK4 3248/4885ALDH1A1 1404/4885

“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.