SCHEMBL7128975

SCHEMBL7128975

O=C(NCc1ccc([N+](=O)O)cc1)c1cccc2c1C=CS2([O-])O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 5/20 0.39
SGMS2 Q8NHU3 1/20 0.38
METAP2 P50579 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL7128966 0.81 SMN1; SMN2 (0.50) SMN1; SMN2HPGDMAPTKMT2AALDH1A1
SCHEMBL7128971 0.80 SMN1; SMN2 (0.49) SMN1; SMN2HPGDMAPTKMT2AALDH1A1
SCHEMBL7128576 0.73 KMT2A (0.55) APEX1HPGDSGMS2METAP2MAPT
SCHEMBL7128582 0.72 KMT2A (0.54) APEX1HPGDSGMS2METAP2MAPT
SCHEMBL7129151 0.71 ALDH1A1 (0.41) APEX1SMN1; SMN2METAP2MAPTALDH1A1
SCHEMBL7133890 0.70 MAPK1 (0.54) SMN1; SMN2LMNAALDH1A1GAANSD2
SCHEMBL7133894 0.69 MAPK1 (0.53) APEX1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL7132548 0.68 AURKA (0.44) APEX1HPGDMAPTKMT2ALMNA
SCHEMBL7133273 0.67 CRHBP (0.48) HPGDMAPTKMT2ALMNAALDH1A1
SCHEMBL7126878 0.67 ALDH1A1 (0.60) APEX1HPGDKMT2ALMNAALDH1A1

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 7 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
US-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed
US-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US disclosed
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 disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 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 (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 APEX1 3416/4885SMN1; SMN2 527/4885HPGD 2671/4885

“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.