SCHEMBL2175296

SCHEMBL2175296

O=c1nc(OCCC2CC2)ccn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
DBH P09172 1/20 0.39
HTT P42858 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 1/20 0.37
P2RX7 Q99572 1/20 0.37
PKM P14618 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
SCHEMBL2175241 0.83 TSHR (0.53) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2178031 0.82 TSHR (0.52) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2177358 0.82 LMNA (0.51) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2175430 0.80 TSHR (0.50) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2176047 0.80 SMN1; SMN2 (0.50) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2177416 0.79 TSHR (0.48) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2178004 0.79 LMNA (0.48) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2178005 0.79 LMNA (0.48) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2175056 0.79 TSHR (0.48) TSHRSMN1; SMN2LMNADBHHTT
SCHEMBL2174653 0.75 LMNA (0.51) TSHRSMN1; SMN2LMNADBHHTT

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.