SCHEMBL3096449

SCHEMBL3096449

N#Cc1ccc(C[S])c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.51
▸ IMPDH2 P12268 2/20 0.48
▸ IMPDH1 P20839 2/20 0.48
▸ AR P10275 8/20 0.44
▸ SLC22A12 Q96S37 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ STAT3 P40763 1/20 0.37

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
SCHEMBL29559252 0.83 CYP19A1 (0.51) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL24337996 0.83 CYP19A1 (0.51) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL151936 0.82 IMPDH2 (0.64) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL2462113 0.82 CYP19A1 (0.50) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL29489135 0.82 IMPDH2 (0.64) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL12229649 0.82 IMPDH2 (0.52) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL15345716 0.82 CYP19A1 (0.50) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL3078346 0.82 CYP19A1 (0.50) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL29559172 0.82 CYP19A1 (0.50) CYP19A1IMPDH2IMPDH1ARSLC22A12
SCHEMBL3096457 0.82 CYP19A1 (0.50) CYP19A1IMPDH2IMPDH1ARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 — — US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 — — US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 — — EP disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 — — US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 — — EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 — — US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 — — US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 — — US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 — — EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 — — US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 — — EP 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 (2 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP19A1 4587/4885IMPDH2 2511/4885IMPDH1 2379/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 CYP19A1 687/4885IMPDH2 1257/4885IMPDH1 706/4885

“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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