SCHEMBL2175430

SCHEMBL2175430

CCN(CC)CCOc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
CCR4 P51679 7/20 0.44
HRH3 Q9Y5N1 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNA3 P22001 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40
DBH P09172 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL2175241 0.88 TSHR (0.53) TSHRSMN1; SMN2LMNACYP2D6CYP2C19
SCHEMBL2178031 0.87 TSHR (0.52) TSHRSMN1; SMN2LMNASIGMAR1CYP2D6
SCHEMBL2177416 0.85 TSHR (0.48) TSHRSMN1; SMN2LMNASIGMAR1CCR4
SCHEMBL2175056 0.83 TSHR (0.48) TSHRSMN1; SMN2LMNACCR4CYP2D6
SCHEMBL2176047 0.83 SMN1; SMN2 (0.50) TSHRSMN1; SMN2LMNACCR4CYP2D6
SCHEMBL2178004 0.81 LMNA (0.48) TSHRSMN1; SMN2LMNACYP2D6CYP2C19
SCHEMBL2178005 0.81 LMNA (0.48) TSHRSMN1; SMN2LMNACYP2D6CYP2C19
SCHEMBL2175296 0.80 TSHR (0.47) TSHRSMN1; SMN2LMNACYP2D6CYP2C19
SCHEMBL1980077 0.76 SIGMAR1 (0.60) SIGMAR1CCR4HRH3HTTKDM4E
SCHEMBL2177358 0.75 LMNA (0.51) TSHRSMN1; SMN2LMNACYP2C19HTT

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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT TSHR 3182/4885SMN1; SMN2 4359/4885LMNA 1691/4885

“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.