SCHEMBL9786192

SCHEMBL9786192

C=C(CSC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.47
▸ MAOB P27338 6/20 0.47
▸ EGFR P00533 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7892772 0.77 NPC1 (0.45) MAOAMAOBEGFRALDH1A1MEN1
SCHEMBL11609339 0.74 MAOA (0.40) MAOAMAOBEGFRALDH1A1MAPT
SCHEMBL14958 0.73 MAOA (0.52) MAOAMAOBEGFRALDH1A1MAPT
SCHEMBL6320924 0.73 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL879474 0.73 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7892788 0.72 PTGS2 (0.41) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL20628290 0.72 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9496848 0.72 SMN1; SMN2 (0.45) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL7900084 0.72 MAOA (0.42) MAOAMAOBALDH1A1MAPT
SCHEMBL7900060 0.72 ALDH1A1 (0.66) MAOAMAOBALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3273011-A — — None — — JP disclosed
US-10342744-B2 Compositions with controlled network structure IVOCLAR VIVADENT AG (LI) 2019-07-09 — — US disclosed
US-20170172855-A1 Compositions With Controlled Network Structure TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-22 — — US disclosed
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES TECHNISCHE UNIVERSITÄT WIEN (AT) 2017-06-08 — — US disclosed
WO-2013063214-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO disclosed
JP-H03273011-A ORGANIC GLASS TOKUYAMA SODA CO LTD 1991-12-04 — — JP 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-20170172855-A1 Compositions With Controlled Network Structure NCLN, RAD51, SMCHD1 MAOA 930/4885MAOB 1883/4885EGFR 4652/4885
US-10342744-B2 Compositions with controlled network structure NCLN, RAD51, SMCHD1 MAOA 930/4885MAOB 1883/4885EGFR 4652/4885
US-20170156993-A1 DENTAL MATERIALS WITH DEBONDING-ON-DEMAND PROPERTIES DCLRE1A, RAD51, TERB1 MAOA 3809/4885MAOB 3662/4885EGFR 4310/4885

“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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