SCHEMBL13062320

SCHEMBL13062320

CC(C)[C@@H](C(=O)NC(C=O)Cc1c[nH]c2ccccc12)n1cc(COc2ccc3nc(S)sc3c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
EGFR P00533 2/20 0.38
PTGS2 P35354 1/20 0.38
GHSR Q92847 5/20 0.37
CCKBR P32239 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 1/20 0.35
NMBR P28336 1/20 0.35
KDR P35968 1/20 0.35
ECE1 P42892 1/20 0.35
CYP2C19 P33261 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL13078235 1.00 CTSL (0.43) CTSLMAOAMAOBEGFRPTGS2
SCHEMBL13062413 0.90 CTSL (0.48) CTSLMAOAMAOBEGFRPTGS2
SCHEMBL13078237 0.90 CTSL (0.48) CTSLMAOAMAOBEGFRPTGS2
SCHEMBL13042317 0.82 CA2 (0.44) MAOAMAOBEGFRPTGS2KMT2A
SCHEMBL3742808 0.81 ECE1 (0.45) CCKBRMEN1POLBHTTKMT2A
SCHEMBL3742804 0.81 ECE1 (0.45) CCKBRMEN1POLBHTTKMT2A
SCHEMBL13012661 0.79 MAPT (0.45) EGFRPTGS2CCKBRKMT2AKDR
SCHEMBL13062298 0.78 CTSB (0.31)
SCHEMBL13062083 0.75 CYP3A4 (0.36)
SCHEMBL13078268 0.75 MAOB (0.40) MAOBHTT

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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 CTSL 2515/4885MAOA 2674/4885MAOB 2789/4885

“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.