SCHEMBL12221147

SCHEMBL12221147

O=C1C(=C2Sc3c(O)c4c(c(O)c3S2)SC(=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)S4)C(=O)N(c2ccccc2)N1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ COMT P21964 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TNNI3 P19429 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TNNT2 P45379 1/20 0.32
▸ TNNC1 P63316 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ S1PR1 P21453 1/20 0.32

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
SCHEMBL13777419 0.88 S1PR1 (0.34) ALDH1A1MEN1KMT2ACOMTGSK3A
SCHEMBL21788810 0.81 KMT2A (0.39) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL22701775 0.80 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL12221148 0.79 GAA (0.40) ALDH1A1NPSR1MAPTLMNASMN1; SMN2
SCHEMBL12221150 0.79 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGSK3AGSK3B
SCHEMBL21191995 0.77 FAAH (0.40) ALDH1A1MEN1KMT2ANPSR1MAPK1
SCHEMBL12221129 0.75 KMT2A (0.37) ALDH1A1MEN1KMT2AGSK3BNPSR1
SCHEMBL21185414 0.75 S100A4 (0.39) ALDH1A1MEN1KMT2ANPSR1MAPK1
SCHEMBL21191914 0.72 KDM4E (0.36) ALDH1A1SMN1; SMN2HPGDEP300KAT2B
SCHEMBL12243989 0.67 — —

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
US-8039532-B2 Heterocyclic compound, ultraviolet absorbent and composition containing the same FUJIFILM CORPORATION (JP) 2011-10-18 — — US disclosed
US-8039532-B2 Heterocyclic compound, ultraviolet absorbent and composition containing the same FUJIFILM CORPORATION (JP) 2011-10-18 — — US disclosed
US-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-08-19 — — US disclosed
US-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-08-19 — — US disclosed
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 — — US disclosed
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 — — 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 (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-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME F12, F2, CYP24A1 ALDH1A1 1492/4885MEN1 95/4885KMT2A 4498/4885
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND SQOR, NQO1, PBRM1 ALDH1A1 739/4885MEN1 464/4885KMT2A 1603/4885

“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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