SCHEMBL1968479

SCHEMBL1968479

COC(=O)c1[c]cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7471896 0.83 CA1 (0.53) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL670604 0.79 LMNA (0.50) ALDH1A1KDM4EGLAHSD17B10TSHR
SCHEMBL1967335 0.79 TSHR (0.41) NR4A2ALDH1A1GAAKDM4EHSD17B10
SCHEMBL7585606 0.78 ALDH1A1 (0.39) ALDH1A1GAAHPGDL3MBTL1POLB
SCHEMBL27579614 0.78 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL5746537 0.78 TSHR (0.39) NR4A2ALDH1A1GAAKDM4EHSD17B10
SCHEMBL7476141 0.78 MAPT (0.41) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL5622548 0.78 ALPL (0.37) NR4A2ALDH1A1GAAKDM4EGLA
SCHEMBL6790765 0.78 ALDH1A1 (0.52) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL482855 0.77 MAPT (0.47) NR4A2ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 WO disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 CN disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN 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 (2 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 NR4A2 1464/4885ALDH1A1 1864/4885GAA 3766/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA NR4A2 1499/4885ALDH1A1 3061/4885GAA 1593/4885

“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.