SCHEMBL2138665

SCHEMBL2138665

FC(F)(F)c1ccc2sc(-c3ccccc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.54
KDM4E B2RXH2 7/20 0.54
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
RAB9A P51151 8/20 0.51
NFKB1 P19838 7/20 0.51
NFKB2 Q00653 7/20 0.51
RELA Q04206 7/20 0.51
NPC1 O15118 7/20 0.51
HPGD P15428 3/20 0.51
STAT1 P42224 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
PKM P14618 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 3/20 0.49
GLA P06280 2/20 0.49
DYRK1A Q13627 1/20 0.48

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
SCHEMBL29445838 0.88 KDM4E (0.60) KDM4ETNFNOD1RAB9ANFKB1
SCHEMBL20349432 0.88 KDM4E (0.60) KDM4ETNFNOD1RAB9ANFKB1
SCHEMBL8704110 0.86 KDM4E (0.55) ILKKDM4ETNFNOD1RAB9A
SCHEMBL4804958 0.85 MAPT (0.56) ILKKDM4ETNFNOD1RAB9A
SCHEMBL3055139 0.85 MAPT (0.69) ILKKDM4ERAB9ANFKB1NFKB2
SCHEMBL12755312 0.84 TNF (0.68) KDM4ETNFNOD1RAB9ANFKB1
SCHEMBL12470428 0.84 NR4A2 (0.46) ILKKDM4ETNFNOD1RAB9A
SCHEMBL12470685 0.83 FFAR1 (0.52) ILKKDM4ERAB9ANFKB1NFKB2
SCHEMBL12470914 0.82 ILK (0.52) ILKKDM4ERAB9ANFKB1NFKB2
SCHEMBL12470870 0.81 KDM4E (0.59) ILKKDM4ERAB9ANPC1HPGD

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-102491989-A Iridium complex, preparation method of iridium complex, method for catalyzing and reducing water by using visible light and dye-sensitized solar cell NANJING UNIVERSITY OF TECHNOLOGY 2012-06-13 CN claimed
CN-103992291-B Method for synthesizing 2-substituted benzothiazole derivative NANJING TECH UNIVERSITY (CN) 2016-02-10 CN disclosed
CN-103992291-A Method for synthesizing 2-substituted benzothiazole derivative NANJING UNIVERSITY OF TECHNOLOGY 2014-08-20 CN disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
CN-102491989-A Iridium complex, preparation method of iridium complex, method for catalyzing and reducing water by using visible light and dye-sensitized solar cell NANJING UNIVERSITY OF TECHNOLOGY 2012-06-13 CN disclosed
CN-102491989-A Iridium complex, preparation method of iridium complex, method for catalyzing and reducing water by using visible light and dye-sensitized solar cell NANJING UNIVERSITY OF TECHNOLOGY 2012-06-13 CN disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ILK 4732/4885KDM4E 3428/4885TNF 3672/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ILK 4732/4885KDM4E 3428/4885TNF 3672/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR ILK 4732/4885KDM4E 3428/4885TNF 3672/4885

“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.