SCHEMBL1807377

SCHEMBL1807377

C[N]c1ccc(OC)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GSK3B P49841 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PTGS1 P23219 3/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MPL P40238 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
SCHEMBL1803312 0.86 PTGS2 (0.44) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL31330205 0.79 RAPGEF4 (0.47) SMN1; SMN2GSK3BKMT2AALDH1A1MAPT
SCHEMBL158166 0.79 RAPGEF4 (0.47) SMN1; SMN2GSK3BKMT2AALDH1A1MAPT
SCHEMBL13297310 0.78 GSK3B (0.48) SMN1; SMN2GSK3BKMT2AALDH1A1MAPT
SCHEMBL9817115 0.77 RAPGEF4 (0.46) SMN1; SMN2GSK3BKMT2AALDH1A1MAPT
SCHEMBL1066283 0.77 KMT2A (0.60) SMN1; SMN2KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL1803018 0.77 BRD4 (0.45) LMNAL3MBTL1POLBTP53RECQL
SCHEMBL1805742 0.77 MPL (0.33) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL30965843 0.77 L3MBTL1 (0.64) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL3496007 0.77 SMN1; SMN2 (0.59) SMN1; SMN2GSK3BKMT2AALDH1A1MAPT

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 SMN1; SMN2 1683/4885GSK3B 2703/4885KMT2A 1224/4885

“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.

Send feedback