SCHEMBL11932154

SCHEMBL11932154

O=C(Nc1nc([N+](=O)[O-])cs1)c1cc(Cl)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ P2RX1 P51575 6/20 0.56
▸ KCNMA1 Q12791 6/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ AGTR1 P30556 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ PDPK1 O15530 1/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL29267694 0.83 NPC1 (0.64) NPC1RAB9AKCNMA1KMT2AALDH1A1
SCHEMBL11932149 0.82 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AKCNMA1KMT2A
SCHEMBL14886015 0.80 GCK (0.75) SMN1; SMN2NPC1RAB9AP2RX1KCNMA1
SCHEMBL14886002 0.80 KCNMA1 (0.57) NPC1RAB9AP2RX1KCNMA1KMT2A
SCHEMBL11408682 0.79 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL13055739 0.77 KCNMA1 (0.60) SMN1; SMN2NPC1RAB9AP2RX1KCNMA1
SCHEMBL18343994 0.77 KCNMA1 (0.63) SMN1; SMN2NPC1RAB9AP2RX1KCNMA1
SCHEMBL3276794 0.77 MAPT (0.61) SMN1; SMN2RAB9AP2RX1KCNMA1ALDH1A1
SCHEMBL30771758 0.76 STAT3 (0.75) SMN1; SMN2NPC1RAB9AP2RX1KCNMA1
SCHEMBL14886086 0.76 MEN1 (0.61) SMN1; SMN2NPC1RAB9AKCNMA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090239919-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 SMN1; SMN2 1163/4885NPC1 3328/4885RAB9A 2312/4885
US-20130150416-A1 Glutamate receptor modulators and therapeutic agents GRM5, GRM1, GRIK5 SMN1; SMN2 1021/4885NPC1 2597/4885RAB9A 2147/4885

“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.

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