SCHEMBL2977227

SCHEMBL2977227

CC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.52
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL997299 0.87 CYP1A2 (0.63) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6487344 0.87 CYP1A2 (0.63) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28321274 0.85 CYP1A2 (0.47) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6330412 0.85 MAPK1 (0.52) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL998984 0.85 MEN1 (0.52) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14611045 0.84 HPD (0.46) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5292681 0.83 MEN1 (0.51) MAPK1ALDH1A1MEN1KMT2APKM
SCHEMBL13678600 0.83 MAPK1 (0.53) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10652415 0.82 CYP3A4 (0.48) HPDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL30695843 0.82 CYP3A4 (0.48) HPDMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
US-20070083053-A1 Process for producing indole compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-12 US 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 (4 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 HPD 2928/4885MAPK1 814/4885ALDH1A1 631/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 HPD 2634/4885MAPK1 900/4885ALDH1A1 699/4885
US-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 HPD 6/4885MAPK1 4131/4885ALDH1A1 2357/4885
US-20070083053-A1 Process for producing indole compound IDO2, IDO1, TDO2 HPD 21/4885MAPK1 4083/4885ALDH1A1 2793/4885

“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.