SCHEMBL12958024

SCHEMBL12958024

Cc1ccc2c(N)c([N+](=O)[O-])c(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.43
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
TSHR P16473 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL5085550 0.82 MAPK1 (0.51) LMNAMAPK1RAB9AALDH1A1MAPT
SCHEMBL17844954 0.78 LMNA (1.00) LMNAALDH1A1MAPTGAAHPGD
SCHEMBL7882431 0.77 LMNA (0.53) LMNAMAPK1RAB9AALDH1A1MAPT
SCHEMBL5898250 0.74 HSD17B3 (0.50) LMNAALDH1A1MAPTMAOBCDC25A
SCHEMBL11388031 0.73 NQO1 (0.58) LMNAMAPK1RAB9AALDH1A1MAPT
SCHEMBL10260203 0.72 MAOB (0.61) LMNARAB9AMAPTMAOBMAOA
SCHEMBL22167590 0.70 MAOB (0.44) LMNARAB9AALDH1A1MAPTMAOB
SCHEMBL3682321 0.70 HSD17B3 (0.67) RAB9AALDH1A1MAOBCDC25ACDC25C
SCHEMBL29406593 0.70 HSD17B3 (0.67) RAB9AALDH1A1MAOBCDC25ACDC25C
SCHEMBL8756376 0.70 MAOB (0.44) LMNARAB9AALDH1A1MAPTMAOB

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-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 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-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 LMNA 4410/4885MAPK1 785/4885RAB9A 3026/4885

“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.