SCHEMBL3277689

SCHEMBL3277689

CC(=O)Nc1sc2c(c1C#N)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ ALDH1A1 P00352 7/20 0.97
▸ L3MBTL1 Q9Y468 2/20 0.97
▸ HTT P42858 1/20 0.97
▸ RAB9A P51151 5/20 0.74
▸ NPC1 O15118 4/20 0.74
▸ MAPT P10636 1/20 0.74
▸ PKM P14618 1/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ POLB P06746 2/20 0.69
▸ USP2 O75604 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ ATM Q13315 1/20 0.66
▸ LMNA P02545 1/20 0.64
▸ BACE1 P56817 1/20 0.64

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
SCHEMBL6248815 0.85 MEN1 (0.81) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6250292 0.85 MEN1 (0.74) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6246144 0.84 MEN1 (0.83) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11369250 0.84 ALDH1A1 (0.97) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3277999 0.84 L3MBTL1 (0.95) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11859393 0.84 MEN1 (0.72) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6246194 0.82 MEN1 (0.76) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11924459 0.82 MEN1 (0.70) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3278398 0.82 ALDH1A1 (1.00) GAAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5803825 0.82 MEN1 (0.69) GAAMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US claimed
US-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 — — US disclosed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 — — EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 — — US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 — — US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 — — EP disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 — — WO disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 — — WO disclosed
US-4013681-A SUGAR CANE RIPENERS HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1977-03-22 — — US disclosed
US-3989505-A Use of polycyclic thiophene compounds as ripeners for sugarcane HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1976-11-02 — — US 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 (4 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM GAA 365/4885MEN1 2985/4885KMT2A 3792/4885
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC GAA 1737/4885MEN1 1184/4885KMT2A 4115/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 GAA 389/4885MEN1 2405/4885KMT2A 3324/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B GAA 1861/4885MEN1 4022/4885KMT2A 4066/4885

“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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