SCHEMBL6013674

SCHEMBL6013674

CC(C)[C@](C#N)(CCC(=O)O)c1cccs1.Cc1ccc(C(C)N)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.34
KIF11 P52732 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A3 Q01959 2/20 0.32
RAB9A P51151 2/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.31
ALOX12 P18054 1/20 0.31
GFER P55789 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6013634 1.00 CTSC (0.34) CTSCKIF11KDM4EALDH1A1POLB
SCHEMBL6013626 0.93 KIF11 (0.37) CTSCKIF11KDM4EALDH1A1POLB
SCHEMBL5232528 0.93 KIF11 (0.37) CTSCKIF11KDM4EALDH1A1POLB
SCHEMBL5232535 0.93 KIF11 (0.37) CTSCKIF11KDM4EALDH1A1POLB
SCHEMBL14432518 0.88 CTSC (0.36) CTSCKIF11KDM4EALDH1A1POLB
SCHEMBL5226414 0.88 CTSC (0.36) CTSCKIF11KDM4EALDH1A1POLB
SCHEMBL6013657 0.81 ALOX5 (0.33) KIF11RAB9AKMT2A
SCHEMBL6013621 0.81 ALOX5 (0.33) KIF11RAB9AKMT2A
SCHEMBL7302669 0.80 HPGD (0.42) CTSCKIF11ALDH1A1POLBL3MBTL1
SCHEMBL14432523 0.76 CTSC (0.37) CTSCKDM4EALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 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-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CTSC 3720/4885KIF11 3416/4885KDM4E 3270/4885

“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.