SCHEMBL20864359

SCHEMBL20864359

O=C1c2cccc3c(S(=O)(=O)Cl)ccc(c23)N1CCCS(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.54
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL16862798 0.82 BRD4 (0.75) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL29437286 0.82 BRD4 (0.75) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL20864360 0.81 BRD4 (0.56) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL31735710 0.78 PKM (0.71) BRD4ALDH1A1MAPTPKMSMN1; SMN2
SCHEMBL14527677 0.77 BRD4 (0.55) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL11601951 0.77 BRD4 (0.67) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL28458415 0.76 BRD4 (0.65) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL25520362 0.74 MEN1 (0.56) BRD4MEN1ALDH1A1MAPTPKM
SCHEMBL2286757 0.74 TDP1 (0.51) MEN1MAPTKMT2ASMN1; SMN2L3MBTL1
SCHEMBL25520356 0.73 BRD4 (0.48) BRD4ALDH1A1MAPTPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2023-05-25 US disclosed
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2023-05-25 US disclosed
US-11549017-B2 NIR to SWIR fluorescent compounds for imaging and detection PERKINELMER HEALTH SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20190100654-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION REVVITY HEALTH SCIENCES, INC. 2019-04-04 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 (3 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-11549017-B2 NIR to SWIR fluorescent compounds for imaging and detection SMARCD1, SMARCE1, SMARCB1 BRD4 323/4885MEN1 1886/4885ALDH1A1 3287/4885
US-20190100654-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION SMARCD1, SMARCE1, SMARCB1 BRD4 323/4885MEN1 1886/4885ALDH1A1 3287/4885
US-20230159762-A1 NIR TO SWIR FLUORESCENT COMPOUNDS FOR IMAGING AND DETECTION SMARCD1, SMARCE1, SMARCB1 BRD4 323/4885MEN1 1886/4885ALDH1A1 3287/4885

“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.