SCHEMBL6840452

SCHEMBL6840452

O=[N+]([O-])c1ccccc1C=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ XDH P47989 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ SOS1 Q07889 1/20 0.51
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ ERN1 O75460 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

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
SCHEMBL114440 0.82 MAPT (0.58) MAPTXDHCA12SOS1MEN1
SCHEMBL11049170 0.82 MAPT (0.69) MAPTCA12SOS1MEN1KMT2A
SCHEMBL14935499 0.82 MAPT (0.69) MAPTCA12SOS1MEN1KMT2A
SCHEMBL9978289 0.82 MAPT (0.69) MAPTCA12SOS1MEN1KMT2A
2-Nitrobenzaldehyde SCHEMBL5654 0.80 ERN1 (0.66) MAPTXDHCA12SOS1MEN1
SCHEMBL11296000 0.80 MAPT (0.67) MAPTCA12SOS1MEN1KMT2A
2-Nitrobenzaldehyde SCHEMBL29672618 0.80 ERN1 (0.66) MAPTXDHCA12SOS1MEN1
SCHEMBL11299049 0.80 MAPT (0.67) MAPTCA12SOS1MEN1KMT2A
SCHEMBL11262539 0.78 MAPT (0.55) MAPTXDHCA12SOS1MEN1
SCHEMBL8299858 0.78 MAPT (0.55) MAPTXDHCA12SOS1MEN1

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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 — — US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 — — EP disclosed
US-4487715-A ACTIVATION, ESTERIFICATION, IMMOBILIZATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-12-11 — — 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM MAPT 2518/4885XDH 138/4885CA12 1126/4885

“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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