SCHEMBL11936765

SCHEMBL11936765

CN(Cc1nccn1CC(N)=O)Cc1nccn1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALPG P10696 2/20 0.39
PLAA Q9Y263 1/20 0.39
ALPL P05186 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KMT2A Q03164 4/20 0.35
FPR2 P25090 2/20 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
SCHEMBL10292434 0.85 FPR2 (0.45) RAB9AL3MBTL1ALPGPLAAALPL
SCHEMBL11930757 0.83 LMNA (0.38) L3MBTL1ALPGPLAAALPLALDH1A1
SCHEMBL19033087 0.79 LMNA (0.36) L3MBTL1ALPGPLAAALPLALDH1A1
SCHEMBL15199174 0.78 RAB9A (0.38) RAB9AL3MBTL1ALPGPLAAALPL
SCHEMBL13310652 0.77 ALPG (0.39) ALPGPLAAALPLALDH1A1CA12
SCHEMBL20879597 0.75 ALPG (0.40) RAB9AALPGPLAAALPLALDH1A1
SCHEMBL13287470 0.75 RAB9A (0.41) RAB9AL3MBTL1ALDH1A1KMT2ANCOA1
SCHEMBL16213764 0.75 RAB9A (0.41) RAB9AL3MBTL1ALDH1A1KMT2AFPR2
SCHEMBL1179644 0.74 ALPL (0.53) L3MBTL1ALPGPLAAALPLALDH1A1
SCHEMBL4070319 0.74 FPR2 (0.37) RAB9AL3MBTL1ALPGPLAAALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687572-B2 PSMA-targeted dendrimers MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2017-06-27 US disclosed
US-8211401-B2 Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof for inhibiting PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20100178246-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-07-15 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-20100178246-A1 TECHNETIUM- AND RHENIUM-BIS(HETEROARYL) COMPLEXES AND METHODS OF USE THEREOF FOR INHIBITING PSMA PSMA1, PSMA5, PSMA3 RAB9A 191/4885L3MBTL1 3451/4885ALPG 941/4885

“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.