SCHEMBL7121753

SCHEMBL7121753

O=C(NCCOc1cccc2c1C=CS2(=O)=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL7121750 0.91 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7126810 0.79 THRB (0.49) SMN1; SMN2KMT2AMEN1CYP3A4CYP1A2
SCHEMBL7122857 0.75 HDAC1 (0.53) ALDH1A1SMN1; SMN2LMNAALOX15MAPT
SCHEMBL7127106 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7127101 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10666548 0.72 KMT2A (0.64) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL10669585 0.72 KMT2A (0.61) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL1116738 0.71 KMT2A (0.76) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL29634495 0.71 KMT2A (0.76) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL25328235 0.71 THRB (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1CYP3A4

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-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-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 ALDH1A1 3159/4885SMN1; SMN2 527/4885LMNA 2985/4885

“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.