SCHEMBL839828

SCHEMBL839828

[CH2]CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
LOXL2 Q9Y4K0 1/20 0.57
KCNJ1 P48048 4/20 0.56
KCNH2 Q12809 4/20 0.56
HRH3 Q9Y5N1 1/20 0.53
IDO1 P14902 2/20 0.52
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1119530 0.88 TSHR (0.60) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL3292782 0.86 TSHR (0.75) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL1119477 0.86 TSHR (0.58) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL8995565 0.84 TSHR (0.56) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL3028162 0.84 TSHR (0.56) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL18913824 0.82 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL30758863 0.82 TSHR (0.69) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL22464 0.82 LOXL2 (0.61) TSHRLOXL2KCNJ1KCNH2IDO1
SCHEMBL2588477 0.80 TSHR (0.67) TSHRLOXL2KCNJ1KCNH2HRH3
SCHEMBL250472 0.80 TSHR (0.67) TSHRLOXL2KCNJ1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104202999-B Nitro amino derivant is reduced in feedstuff the purposes of methane discharge of ruminant 帝斯曼知识产权资产管理有限公司 2016-11-16 CN claimed
CN-105472995-A Use of feed composition for reducing methane emission in ru-minants, and/or to improve ruminant performance DSM IP ASSETS BV 2016-04-06 CN claimed
CN-104202999-A Use of para nitro amino derivatives in feed for reducing me-thane emission in ruminants DSM IP ASSETS BV 2014-12-10 CN claimed
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US claimed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US claimed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US claimed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US claimed
EP-0413020-A1 PYRAZOLOTRIAZOLES AND PROCESSES FOR THEIR FORMATION EASTMAN KODAK COMPANY (US) 1991-02-20 EP claimed
WO-1990010004-A1 PYRAZOLOTRIAZOLES AND PROCESSES FOR THEIR FORMATION EASTMAN KODAK COMPANY (US) 1990-09-07 WO claimed
US-4914209-A PHOTOGRAPHIC COUPLERS EASTMAN KODAK COMPANY (US) 1990-04-03 US claimed
US-4689411-A ANTIBIOTICS OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1987-08-25 US claimed
US-4603014-A Thiazolinoazetidinone derivatives and process for the preparation of the same OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHA (JP) 1986-07-29 US claimed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
US-4175197-A 1,3,4-Trisubstituted-4-aryl-1,4,5,6-tetra-hydropyridines ELI LILLY AND COMPANY (US) 1979-11-20 US disclosed
US-4115400-A 1-Azoniabicyclo[3.1.0]hexanes ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4081450-A 1,3,4-Trisubstituted-4-arylpiperidines and their preparation ELI LILLY AND COMPANY (US) 1978-03-28 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 (2 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-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 TSHR 1486/4885LOXL2 523/4885KCNJ1 1673/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 TSHR 1694/4885LOXL2 3529/4885KCNJ1 31/4885

“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.