SCHEMBL18623606

SCHEMBL18623606

O=C(OC(c1ccccc1)c1ccccc1)C1=C(CCl)CSC2C(NCl)C(=O)N12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ TDP1 Q9NUW8 7/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ MAPT P10636 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ SLC15A2 Q16348 2/20 0.47
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL14074295 1.00 PTGS1 (0.48) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL16181512 0.91 PTGS1 (0.49) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL4346431 0.89 PTGS1 (0.54) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL9013344 0.89 PTGS1 (0.48) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL9013350 0.89 PTGS1 (0.48) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL4341952 0.89 PTGS1 (0.54) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL9371427 0.89 PTGS1 (0.49) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL9371430 0.89 PTGS1 (0.49) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL9699333 0.88 TDP1 (0.58) PTGS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL9699338 0.88 TDP1 (0.58) PTGS1ALDH1A1TDP1HSD17B10KDM4E

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-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — US disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 — — 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-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA PTGS1 3506/4885ALDH1A1 310/4885TDP1 2288/4885

“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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