SCHEMBL10065472

SCHEMBL10065472

O=C(O)Cc1n[nH]c(=O)c2ncncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.35
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
NTRK1 P04629 1/20 0.34
GABRR1 P24046 2/20 0.34
EGLN1 Q9GZT9 2/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
GABRR2 P28476 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
PARP1 P09874 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL19575386 0.88 LMNA (0.57) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL479506 0.80 LMNA (0.46) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL16561506 0.75 LMNA (0.48) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL18265861 0.75 LMNA (0.48) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL19199613 0.73 LMNA (0.66) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL360658 0.73 LMNA (0.53) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL19153918 0.71 PDPK1 (0.42) KDM4EALDH1A1PARP1
SCHEMBL14633604 0.71 PRMT5 (0.41) LMNAPOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL10065833 0.71 LMNA (0.57) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL5717747 0.70 LMNA (1.00) LMNAKDM4EPOLBSMN1; SMN2ALDH1A1

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-20170319584-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-09 US disclosed
US-20170216291-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-08-03 US disclosed
WO-2012009553-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-01-19 WO 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 (2 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-20170216291-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF ALDOA, AKR1B1, AKR1C2 LMNA 1361/4885KDM4E 1917/4885POLB 1462/4885
US-20170319584-A1 ALDOSE REDUCTASE INHIBITORS AND USES THEREOF ALDOA, AKR1B1, AKR1C2 LMNA 1361/4885KDM4E 1917/4885POLB 1462/4885

“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.