SCHEMBL7122853

SCHEMBL7122853

O=C(Nc1cccc2c1C=CS2(O)O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
KCNK3 O14649 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNMA1 Q12791 1/20 0.50
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
GAA P10253 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
ABCB1 P08183 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7122857 0.89 HDAC1 (0.53) HDAC1HDAC3HDAC2HTTL3MBTL1
SCHEMBL7126807 0.79 NPC1 (0.52) HDAC1HDAC3HDAC2SMN1; SMN2GAA
SCHEMBL7121750 0.75 ALDH1A1 (0.58) ALDH1A1ALOX15MAPTSMN1; SMN2LMNA
SCHEMBL7159396 0.72 F7 (0.40) HDAC1HTTALDH1A1KCNK3GAA
SCHEMBL1520536 0.72 HDAC1 (0.70) HDAC1HDAC3HDAC2HTTL3MBTL1
SCHEMBL28677805 0.71 ALDH1A1 (0.78) HDAC1HDAC3HDAC2HTTL3MBTL1
SCHEMBL27918500 0.71 HDAC3 (0.65) HDAC1HDAC3HDAC2HTTL3MBTL1
SCHEMBL7287487 0.71 SIRT2 (0.76) HDAC1HDAC3HDAC2HTTL3MBTL1
SCHEMBL6175231 0.71 HDAC3 (0.73) HDAC1HDAC3HDAC2HTTL3MBTL1
SCHEMBL18086514 0.71 HDAC1 (1.00) HDAC1HDAC3HDAC2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US claimed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed

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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient TPMT, CD47, THPO HDAC1 4618/4885HDAC3 4772/4885HDAC2 4796/4885

“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.