SCHEMBL9889152

SCHEMBL9889152

CC(C)(C)C(=O)NCc1cn(C(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA7 P43166 2/20 0.37
CA14 Q9ULX7 1/20 0.37
NOTUM Q6P988 1/20 0.36
MIF P14174 5/20 0.35
SMO Q99835 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CACNA1B Q00975 1/20 0.34
CA4 P22748 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL25138435 0.87 RIPK1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL9891847 0.83 GLS (0.41) CA1CA2CA9CA12NOTUM
SCHEMBL23945848 0.79 GBA1 (0.44) MAPTL3MBTL1
SCHEMBL19497747 0.78 MAP3K8 (0.34) CA1CA2CA9CA12
SCHEMBL21992355 0.78 MAPT (0.39) MAPT
SCHEMBL16576128 0.78 FNTA (0.36) MAPTCA1CA2CA9CA12
SCHEMBL24095996 0.76 EPHX2 (0.47)
SCHEMBL21672550 0.76 MAP3K8 (0.36)
SCHEMBL25138443 0.74 NPC1 (0.39) MIFL3MBTL1NPC1POLB
SCHEMBL8931479 0.73 CYP4F2 (0.33) NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122957-A1 PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY Technische Universität München (DE) 2023-04-20 US disclosed
US-20200297876-A1 PSMA ligands for imaging and endoradiotherapy Technische Universität München (DE) 2020-09-24 US disclosed
US-20150079618-A1 METHODS AND COMPOUNDS FOR IDENTIFYING GLYCOSYLTRANSFERASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-19 US disclosed
US-20120142711-A1 ACID-LABILE TRIGGER UNITS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-06-07 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 (4 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-20230122957-A1 PSMA LIGANDS FOR IMAGING AND ENDORADIOTHERAPY KLK3, FOLH1, EEA1 MAPT 2125/4885CA1 1328/4885CA2 3376/4885
US-20120142711-A1 ACID-LABILE TRIGGER UNITS ASIC1, ABL1, CA9 MAPT 424/4885CA1 8/4885CA2 24/4885
US-20200297876-A1 PSMA ligands for imaging and endoradiotherapy KLK3, FOLH1, EEA1 MAPT 2125/4885CA1 1328/4885CA2 3376/4885
US-20150079618-A1 METHODS AND COMPOUNDS FOR IDENTIFYING GLYCOSYLTRANSFERASE INHIBITORS MAGT1, GALNT1, NMT1 MAPT 3017/4885CA1 4089/4885CA2 3359/4885

“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.