SCHEMBL13062081

SCHEMBL13062081

O=C(NC1CCCCC1)[C@H](Cc1ccccc1)n1cc(COc2ccc3nc(S)sc3c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
PTGS2 P35354 2/20 0.41
CSF1R P07333 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
PTPN6 P29350 2/20 0.38
CDC25B P30305 2/20 0.38
PTPN11 Q06124 2/20 0.38
ALOX5 P09917 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL3742516 0.89 CA2 (0.51) TDP1NPC1RAB9AMAPTPKM
SCHEMBL3742512 0.89 CA2 (0.51) TDP1NPC1RAB9AMAPTPKM
SCHEMBL13062078 0.87 PTGS2 (0.40) PTGS2CYP3A4PTPN2PTPN1PTPN6
SCHEMBL13062134 0.85 MMP9 (0.39) PTGS2
SCHEMBL13062085 0.84 IL1RN (0.43) MAPTPTGS2CYP3A4CYP2D6MAOB
SCHEMBL13062319 0.84 PTGS2 (0.39) PTGS2CYP3A4PTPN2PTPN1PTPN6
SCHEMBL13062411 0.82 IDE (0.40) MAPTPTGS2CYP3A4MAOB
SCHEMBL13078309 0.82 PTGS2 (0.44) TDP1PTGS2CYP3A4PTPN2PTPN1
SCHEMBL13062321 0.82 PTGS2 (0.41) PTGS2MAOB
SCHEMBL13062082 0.82 PTGS2 (0.40) TDP1NPC1RAB9AMAPTPTGS2

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-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
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 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 TDP1 4224/4885NPC1 2136/4885RAB9A 900/4885

“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.