SCHEMBL4065880

SCHEMBL4065880

Nc1sccc1C(=O)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
RAB9A P51151 3/20 0.70
ALDH1A1 P00352 3/20 0.69
USP2 O75604 1/20 0.69
LMNA P02545 1/20 0.69
GLA P06280 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NPC1 O15118 2/20 0.64
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
PTGS1 P23219 2/20 0.43
LTA4H P09960 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL5505167 0.82 MEN1 (1.00) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL136847 0.82 MEN1 (0.70) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL1143297 0.82 MEN1 (0.70) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL1424722 0.81 ALDH1A1 (1.00) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL27854840 0.80 MEN1 (0.71) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL12460895 0.79 MEN1 (0.66) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL8289685 0.78 RAB9A (0.64) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL1365078 0.78 RAB9A (0.72) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL7851449 0.77 MEN1 (0.45) MEN1KMT2ARAB9AALDH1A1USP2
SCHEMBL11865235 0.74 MEN1 (0.62) MEN1KMT2ARAB9AALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101120003-B Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE 2010-06-16 CN disclosed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
CN-101120003-A Thieno-pyridine derivatives as GABA-B allosteric enhancers HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
CN-1052004-C Heterocyclic compounds, their production and use TALCEDA CHEMICAL IND LTD (JP) 2000-05-03 CN disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
CN-1107476-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-30 CN disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 MEN1 4709/4885KMT2A 3171/4885RAB9A 2346/4885

“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.