SCHEMBL250113

SCHEMBL250113

S=C(n1cnc2ccccc21)n1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ LMNA P02545 1/20 0.58
▸ STAT6 P42226 1/20 0.58
▸ KMT2A Q03164 3/20 0.51
▸ ASAH1 Q13510 5/20 0.49
▸ HTT P42858 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ DNMT3A Q9Y6K1 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43

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
SCHEMBL29833599 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL29833600 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL6028992 0.84 SMN1; SMN2 (0.54) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL24332893 0.83 DGAT1 (0.51) SMN1; SMN2LMNASTAT6KMT2AASAH1
S-Methyl Benzimidazolyldithiocarbamate SCHEMBL27314441 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL11443588 0.79 KMT2A (0.60) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL10979942 0.79 SMN1; SMN2 (0.58) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL250172 0.79 HTT (0.66) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL857765 0.78 SMN1; SMN2 (0.61) SMN1; SMN2LMNASTAT6KMT2AASAH1
SCHEMBL3078847 0.76 SMN1; SMN2 (0.59) SMN1; SMN2LMNASTAT6KMT2AASAH1

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-20130303799-A1 PROCESS FOR THE PREPARATION OF POLY(ALKYLENE OXIDE) DERIVATIVES FOR MODIFICATION OF BIOLOGICALLY ACTIVE MOLECULES AND MATERIALS HORIAN AMERICA, CORP. 2013-11-14 — — US disclosed
WO-2012003045-A2 PROCESS FOR THE PREPARATION OF POLY(ALKYLENE OXIDE) DERIVATIVES FOR MODIFICATION OF BIOLOGICALLY ACTIVE MOLECULES AND MATERIALS HORIAN AMERICA, CORP. (US) 2012-01-05 — — WO 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-20130303799-A1 PROCESS FOR THE PREPARATION OF POLY(ALKYLENE OXIDE) DERIVATIVES FOR MODIFICATION OF BIOLOGICALLY ACTIVE MOLECULES AND MATERIALS PBRM1, PAM, PARG SMN1; SMN2 2461/4885LMNA 11/4885STAT6 3805/4885

“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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