SCHEMBL1883806

SCHEMBL1883806

O=C(O)c1ccc2sc(C(=O)NOC3CCCCO3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HDAC1 Q13547 5/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ GSTM2 P28161 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ CHRNA7 P36544 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
SCHEMBL1888821 0.91 HDAC1 (0.46) MEN1KMT2AHDAC1RAB9AGSTP1
SCHEMBL23500769 0.80 MEN1 (0.54) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL29837066 0.77 MEN1 (0.45) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL23500622 0.77 MEN1 (0.45) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL5944085 0.73 PDE4A (0.45) MEN1KMT2AHDAC1RAB9AGSTP1
SCHEMBL4082004 0.73 GSTP1 (0.49) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL28409562 0.72 GSTP1 (0.51) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL21471527 0.72 GSTP1 (0.51) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL10247034 0.72 SMYD3 (0.53) MEN1KMT2ARAB9AGSTP1GSTM2
SCHEMBL8348733 0.72 HDAC1 (0.50) HDAC1RAB9ASMN1; SMN2CHRNA7

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-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 — — US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 — — US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 — — US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 — — US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 — — US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 — — US disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 — — WO 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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 MEN1 4040/4885KMT2A 286/4885HDAC1 9/4885

“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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