SCHEMBL589656

SCHEMBL589656

Cc1cc([N+](=O)[O-])cc(C)[n+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
CYP19A1 P11511 1/20 0.48
HTT P42858 4/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR35 Q9HC97 1/20 0.44
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL11614422 0.86 TSHR (0.47) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL942208 0.86 TSHR (0.47) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL899185 0.86 TSHR (0.47) TSHRCYP19A1HTTKDM4ENPC1
Hydrochloric Acid SCHEMBL11609946 0.84 TSHR (0.45) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL11615391 0.82 TSHR (0.44) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL11613442 0.82 TSHR (0.44) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL3560709 0.82 HTT (0.46) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL16515847 0.81 TSHR (0.42) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL18261884 0.81 TSHR (0.42) TSHRCYP19A1HTTKDM4ENPC1
SCHEMBL9360024 0.78 TSHR (0.43) TSHRHTTKDM4ENPC1S1PR4

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106243020-A A kind of diethylenetriamine tetrem acids paramagnetic probes for protein labeling 南开大学 2016-12-21 CN claimed
CN-104610138-A Method for synthesizing ethylenediamine tetraacetic acid type probe for protein paramagnetic labeling UNIV NANKAI 2015-05-13 CN claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP claimed
US-4189556-A POLYMERIZING ALPHA-OLEFINS USING A TRANSITION METAL HALIDE-ALUMINUM ALKYL CATALYST, SUBSTITUTED PYRIDINES, QUINOLINES, OR N-OXIDE PYRIDINES STANDARD OIL COMPANY (INDIANA) (US) 1980-02-19 US claimed
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN disclosed
CN-106243020-A A kind of diethylenetriamine tetrem acids paramagnetic probes for protein labeling 南开大学 2016-12-21 CN disclosed
US-20160207930-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2016-07-21 US disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
CN-104910148-A Aminotriazolopyridines and use thereof as kinase inhibitors SIGNAL PHARM LLC 2015-09-16 CN disclosed
CN-104610138-A Method for synthesizing ethylenediamine tetraacetic acid type probe for protein paramagnetic labeling UNIV NANKAI 2015-05-13 CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 CN disclosed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 WO disclosed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP disclosed
US-5100768-A Photoresists for integrated circuits, polyvinyl phenol and nitrogen containing heterocycle KABUSHIKI KAISHA TOSHIBA (JP) 1992-03-31 US disclosed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP disclosed
US-4189556-A POLYMERIZING ALPHA-OLEFINS USING A TRANSITION METAL HALIDE-ALUMINUM ALKYL CATALYST, SUBSTITUTED PYRIDINES, QUINOLINES, OR N-OXIDE PYRIDINES STANDARD OIL COMPANY (INDIANA) (US) 1980-02-19 US disclosed
US-4122264-A Pyridine containing morpholines THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4115396-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1978-09-19 US disclosed
US-4067874-A Novel pyridine 1-oxides THE UPJOHN COMPANY (US) 1978-01-10 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 (1 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-20160207930-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II TACR2, TACR1, HRH4 TSHR 344/4885CYP19A1 2812/4885HTT 2016/4885

“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.