SCHEMBL4263591

SCHEMBL4263591

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
KMT2A Q03164 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
MEN1 O00255 3/20 0.73
NPC1 O15118 2/20 0.73
LMNA P02545 2/20 0.73
HTT P42858 2/20 0.73
RAB9A P51151 2/20 0.73
MAPK1 P28482 2/20 0.73
AURKA O14965 1/20 0.73
PDPK1 O15530 1/20 0.73
JAK2 O60674 1/20 0.73
GMNN O75496 1/20 0.73
ALDH1A1 P00352 1/20 0.73
EGFR P00533 1/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
LYN P07948 1/20 0.73
CHRM2 P08172 1/20 0.73
CYP3A4 P08684 1/20 0.73

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
SCHEMBL29936212 1.00 MAPT (0.73) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL3238215 0.89 KMT2A (0.71) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL1727681 0.86 MAPT (0.65) MAPTKMT2ASMN1; SMN2MEN1NPC1
Niclosamide SCHEMBL29363878 0.85 KMT2A (1.00) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL29936128 0.85 MAPT (0.66) MAPTKMT2ASMN1; SMN2MEN1NPC1
Niclosamide SCHEMBL67182 0.85 KMT2A (1.00) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11793160 0.85 KMT2A (0.66) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL8058544 0.85 MAPT (0.66) MAPTKMT2ASMN1; SMN2MEN1NPC1
Niclosamide SCHEMBL6662409 0.85 KMT2A (1.00) MAPTKMT2ASMN1; SMN2MEN1NPC1
Niclosamide SCHEMBL27365268 0.85 KMT2A (1.00) MAPTKMT2ASMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040597-A1 USE OF NICOLSAMIDE FORMULATIONS FOR ANTIVIRAL THERAPY YOURCHOICE THERAPEUTICS, INC. 2023-02-09 US disclosed
US-20230044449-A1 NICLOSAMIDE FORMULATIONS AND METHODS OF USE AS CONTRACEPTIVE YOURCHOICE THERAPEUTICS, INC. 2023-02-09 US disclosed
US-8614205-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-12-24 US disclosed
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-06-13 US disclosed
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-06-13 US disclosed
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD D (US) 2013-06-13 US disclosed
US-20130005802-A1 TREATMENT OF WNT/FRIZZLED-RELATED DISEASES DUKE UNIVERSITY 2013-01-03 US disclosed
US-8211882-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY (US) 2012-07-03 US disclosed
US-8211882-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY (US) 2012-07-03 US disclosed
US-8211882-B2 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY (US) 2012-07-03 US disclosed
WO-2010101648-A1 GLUTAMATE RECEPTOR MODULATORS AND THERAPEUTIC AGENTS WOOD RICHARD D (US) 2010-09-10 WO disclosed
US-20090239919-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY 2009-09-24 US disclosed
US-20090239919-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY 2009-09-24 US disclosed
US-20090239919-A1 Glutamate receptor modulators and therapeutic agents WOOD RICHARD DELAREY 2009-09-24 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 (5 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-20090239919-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 MAPT 4555/4885KMT2A 881/4885SMN1; SMN2 1163/4885
US-20130005802-A1 TREATMENT OF WNT/FRIZZLED-RELATED DISEASES WNT1, WNT3, SFRP1 MAPT 1012/4885KMT2A 1713/4885SMN1; SMN2 300/4885
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 MAPT 3727/4885KMT2A 454/4885SMN1; SMN2 1021/4885
US-20230044449-A1 NICLOSAMIDE FORMULATIONS AND METHODS OF USE AS CONTRACEPTIVE NCSTN, SHBG, LPXN MAPT 2603/4885KMT2A 2937/4885SMN1; SMN2 1118/4885
US-20230040597-A1 USE OF NICOLSAMIDE FORMULATIONS FOR ANTIVIRAL THERAPY NAPRT, NIT2, NNT MAPT 1330/4885KMT2A 2696/4885SMN1; SMN2 761/4885

“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.