SCHEMBL5371230

SCHEMBL5371230

Cc1ccc(CN2CCC(CO)(Cc3cc(Cl)ccn3)CC2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP2 O75604 3/20 0.37
HIF1A Q16665 1/20 0.37
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 3/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
XBP1 P17861 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
SCHEMBL444276 0.89 FNTA (0.48) LMNAGAAMAPK1NPSR1ALDH1A1
SCHEMBL29372490 0.89 FNTA (0.48) LMNAGAAMAPK1NPSR1ALDH1A1
SCHEMBL7840054 0.81 FNTA (0.49) LMNAGAAALDH1A1KDM4ECYP2C9
SCHEMBL446699 0.76 FNTA (0.53) LMNAGAANPSR1KDM4EMEN1
SCHEMBL7847643 0.75 FNTA (0.48) LMNAMAPK1NPSR1ALDH1A1CYP2C9
SCHEMBL7839572 0.75 FNTA (0.55) LMNAGAAMAPK1NPSR1ALDH1A1
SCHEMBL4685444 0.75 LMNA (0.43) LMNAGAAMAPK1NPSR1ALDH1A1
SCHEMBL7848346 0.75 FNTA (0.49) LMNAGAAMAPK1NPSR1ALDH1A1
SCHEMBL4685441 0.74 LMNA (0.42) LMNAGAAMAPK1NPSR1ALDH1A1
SCHEMBL16239743 0.74 LMNA (0.32) LMNAGAAOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20050176737-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-08-11 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-20050176737-A1 Mitotic kinesin inhibitors KIF5B, KIFC1, KIF2C LMNA 2951/4885GAA 1295/4885MAPK1 1366/4885

“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.