Sugi Predict

Sugi Predict / Compounds / SCHEMBL2135355

SCHEMBL2135355

SCHEMBL2135355

O=[N+]([O-])c1cc(-c2ccccc2)c(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ PTGES O14684 3/20 0.51
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HIF1A Q16665 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ VCAM1 P19320 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL28513860 0.82 ALDH1A1 (0.45) ALDH1A1TDP1PTGESATMHIF1A
SCHEMBL2544759 0.82 TDP1 (0.49) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL15940087 0.81 ALDH1A1 (0.51) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL15461976 0.81 ALDH1A1 (0.69) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL17915595 0.80 ALDH1A1 (0.58) ALDH1A1TDP1PTGESCRHBPCRHR2
Benzene SCHEMBL28328708 0.78 TDP1 (0.54) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL3293721 0.78 ALDH1A1 (0.47) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL31375722 0.76 TDP1 (0.58) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL2650363 0.76 CRHBP (0.58) ALDH1A1TDP1PTGESCRHBPCRHR2
SCHEMBL1298624 0.76 TDP1 (0.58) ALDH1A1TDP1PTGESCRHBPCRHR2

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 ALDH1A1 1191/4885TDP1 4617/4885PTGES 947/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR ALDH1A1 1191/4885TDP1 4617/4885PTGES 947/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR ALDH1A1 1191/4885TDP1 4617/4885PTGES 947/4885

“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.