SCHEMBL2137199

SCHEMBL2137199

NNc1nc2cc(Cl)c(Cl)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
S1PR3 Q99500 1/20 0.37
FBP1 P09467 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
AHR P35869 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
C1R P00736 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2135773 0.78 PIK3CG (0.61) S1PR3FBP1NPC1RAB9ALMNA
SCHEMBL2135493 0.77 RAB9A (0.37) S1PR3FBP1NPC1RAB9AC1R
SCHEMBL10981532 0.74 MAPT (0.60) HDAC7HDAC11HDAC8HDAC6NPC1
SCHEMBL19914339 0.73 AHR (0.42) HDAC7HDAC11HDAC8HDAC6AHR
SCHEMBL22561698 0.72 HDAC8 (0.44) HDAC7HDAC11HDAC8HDAC6S1PR3
SCHEMBL19899752 0.72 HDAC7 (0.44) HDAC7HDAC11HDAC8HDAC6S1PR3
SCHEMBL24133257 0.71 AHR (0.41) HDAC7HDAC11HDAC8HDAC6AHR
SCHEMBL4751200 0.71 CCNK (0.39) HDAC7HDAC11HDAC8HDAC6
SCHEMBL2138540 0.70 FBP1 (0.46) FBP1NPC1RAB9ALMNAMAPT
SCHEMBL2134640 0.70 MAPT (0.54) S1PR3FBP1NPC1RAB9ALMNA

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-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US 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 HDAC7 949/4885HDAC11 697/4885HDAC8 689/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR HDAC7 949/4885HDAC11 697/4885HDAC8 689/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR HDAC7 949/4885HDAC11 697/4885HDAC8 689/4885

“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.