SCHEMBL1805590

SCHEMBL1805590

C[N]c1cc(OC)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ THRB P10828 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ RECQL P46063 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ BRCA1 P38398 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ SLC10A1 Q14973 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.40

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
SCHEMBL9774295 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL1888725 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL1806160 0.76 TP53 (0.46) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL4650366 0.74 PKM (0.70) ALDH1A1KMT2AKDM4EMAPTCYP3A4
SCHEMBL1803312 0.74 PTGS2 (0.44) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL1804052 0.74 MPL (0.41) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL1807377 0.74 SMN1; SMN2 (0.46) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL10231835 0.72 KMT2A (0.45) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL13855819 0.72 KMT2A (0.47) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9233010 0.71 PKM (0.51) ALDH1A1KMT2AKDM4EMAPTMEN1

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 ALDH1A1 218/4885KMT2A 1224/4885KDM4E 1406/4885

“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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