SCHEMBL7128966

SCHEMBL7128966

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CA2 P00918 1/20 0.46
HPGD P15428 4/20 0.44
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.42
ALOX5 P09917 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
SCHEMBL7128971 0.90 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTCA2HPGD
SCHEMBL7128576 0.84 KMT2A (0.55) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL7133890 0.81 MAPK1 (0.54) SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7128975 0.81 APEX1 (0.40) SMN1; SMN2ALDH1A1MAPTHPGDCYP1A2
SCHEMBL7132548 0.78 AURKA (0.44) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL7133273 0.77 CRHBP (0.48) ALDH1A1MAPTHPGDCYP1A2CYP2C19
SCHEMBL7126878 0.77 ALDH1A1 (0.60) ALDH1A1HPGDCYP3A4CYP2C19KMT2A
SCHEMBL7127388 0.76 APEX1 (0.61) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7128411 0.75 USP2 (0.58) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL11437411 0.74 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTCA2HPGD

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 SMN1; SMN2 527/4885ALDH1A1 3159/4885MAPT 970/4885

“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.