SCHEMBL3550151

SCHEMBL3550151

Nc1cccc(SSc2cccc(N)c2N)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
APOBEC3G Q9HC16 2/20 0.62
CD44 P16070 1/20 0.46
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 5/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PIK3CA P42336 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL34535 0.87 MAPT (0.54) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL2426196 0.83 MEN1 (0.48) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL3063070 0.79 MEN1 (0.44) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL5515841 0.79 CD44 (0.48) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL11347069 0.77 MEN1 (0.54) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL7126516 0.77 MEN1 (0.42) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL34097 0.77 MEN1 (1.00) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL30063472 0.77 MEN1 (1.00) MEN1KMT2AMAPTNPSR1APOBEC3G
SCHEMBL94635 0.75
Hydrochloric Acid SCHEMBL3248165 0.74 MEN1 (0.94) MEN1KMT2AMAPTNPSR1APOBEC3G

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
EP-3555203-A1 DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND Repsol, S.A. (ES) 2019-10-23 EP disclosed
US-20190315906-A1 DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND REPSOL SA (ES) 2019-10-17 US disclosed
WO-2018108950-A1 DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND REPSOL, S.A. (ES) 2018-06-21 WO disclosed
US-7820833-B2 Dithio compounds MARQUETTE UNIVERSITY (US) 2010-10-26 US disclosed
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound MARQUETTE UNIVERSITY 2007-03-08 US disclosed
US-4376193-A SEALANTS THIOKOL CORPORATION (US) 1983-03-08 US disclosed
US-4238585-A Aryl amine terminated polysulfide polymers, related compounds and processes for their preparation THIOKOL CORPORATION (US) 1980-12-09 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-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound TST, PFAS, SQOR MEN1 4714/4885KMT2A 4495/4885MAPT 1837/4885

“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.