SCHEMBL3466091

SCHEMBL3466091

Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.52
GLA P06280 1/20 0.51
MAPT P10636 2/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
CA12 O43570 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EGFR P00533 3/20 0.43
ERBB2 P04626 3/20 0.43
GUSB P08236 1/20 0.42

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
SCHEMBL30988951 0.94 LMNA (0.50) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL16516489 0.81 ALDH1A1 (0.46) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL29256804 0.81 GLA (0.53) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL9887938 0.80 LMNA (0.76) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL6866191 0.76 LMNA (0.61) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL12004733 0.76 MEN1 (0.47) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL3466860 0.76 LMNA (0.60) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL3466171 0.75 LMNA (0.59) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL3467394 0.75 LMNA (0.59) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL30990360 0.75 ALDH1A1 (0.52) LMNAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344384-A Compounds and uses thereof 丹诺医药(苏州)有限公司 2024-07-16 CN disclosed
WO-2015025283-A2 DUAL ACTION CARBONIC ANHYDRASE INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2015-02-26 WO disclosed
WO-2015025283-A2 DUAL ACTION CARBONIC ANHYDRASE INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2015-02-26 WO disclosed
US-7678791-B2 Nitroheteroaryl-containing rifamycin derivatives CUMBRE IP VENTURES, L.P. (US) 2010-03-16 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 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 (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-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 LMNA 2973/4885ALDH1A1 1997/4885MAPK1 2995/4885

“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.