SCHEMBL13062063

SCHEMBL13062063

Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)n2cc(-c3ccc(S)cc3)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL3736023 0.88 CA2 (0.58) RAB9AMEN1KMT2ACA12CA1
SCHEMBL3736021 0.88 CA2 (0.58) RAB9AMEN1KMT2ACA12CA1
SCHEMBL13062324 0.83 CA12 (0.43) CA12CA1CA2CA3CA4
SCHEMBL13062069 0.83 RAB9A (0.43) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13078236 0.80 CA2 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL13078158 0.78 CA2 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL13062329 0.77 TSHR (0.51) RAB9ACA12CA1CA2CA3
SCHEMBL13062408 0.76 CA2 (0.55) CA12CA1CA2CA3CA4
SCHEMBL13078267 0.76 CA12 (0.47) CA12CA1CA2CA3CA4
SCHEMBL13062080 0.75 CA12 (0.50) CA12CA1CA2CA3CA4

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 RAB9A 900/4885MEN1 222/4885KMT2A 1041/4885

“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.