SCHEMBL7527862

SCHEMBL7527862

CCC(=S)N(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 4/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ GLA P06280 1/20 0.42

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
SCHEMBL11224562 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL1794128 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL6688630 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL1454886 0.74 NPSR1 (0.46) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL1795380 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL10731714 0.74 NPSR1 (0.52) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL7521817 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL2781437 0.73 ALDH1A1 (0.63) ALDH1A1KMT2AL3MBTL1NPSR1SMN1; SMN2
SCHEMBL28826986 0.73 NPSR1 (0.44) ALDH1A1KMT2AGAAL3MBTL1MEN1
SCHEMBL11833504 0.72 ALDH1A1 (0.57) ALDH1A1KMT2AGAAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 — — US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 — — US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 — — US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 — — EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 — — 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ALDH1A1 1662/4885KMT2A 3081/4885GAA 4866/4885

“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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