SCHEMBL1069671

SCHEMBL1069671

CCc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 4/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
KAT2B Q92831 1/20 0.52
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRB2 P07550 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
SCHEMBL5952783 0.86 TSHR (0.56) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL2776011 0.85 MAPT (0.58) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL2929031 0.85 TDP1 (0.62) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL12798874 0.85 TDP1 (0.62) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL30989211 0.85 TDP1 (0.62) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL11079242 0.83 TDP1 (0.60) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL31423774 0.83 TDP1 (0.60) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL2647110 0.83 SKP2 (0.56) TSHRTDP1MAPTPOLBALDH1A1
SCHEMBL10959235 0.82 TSHR (0.55) TSHRTDP1MAPTALDH1A1MEN1
SCHEMBL11539237 0.82 TSHR (0.51) TSHRTDP1MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287568-B2 High performance, high durability non-precious metal fuel cell catalysts 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-15 US claimed
CN-101657921-B High performance, high durability non-precious metal fuel cell catalysts 3M INNOVATIVE PROPERTIES CO US 2013-06-12 CN claimed
US-20110319257-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M INNOVATIVE PROPERTIES COMPANY 2011-12-29 US claimed
EP-2135313-B1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M INNOVATIVE PROPERTIES CO (US) 2011-09-14 EP claimed
CN-101657921-A High-performance, high durability non-precious metal fuel cell catalysts 3M INNOVATIVE PROPERTIES CO US 2010-02-24 CN claimed
EP-2135313-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M Innovative Properties Company (US) 2009-12-23 EP claimed
WO-2008127828-A1 HIGH PERFORMANCE, HIGH DURABILITY NON-PRECIOUS METAL FUEL CELL CATALYSTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-23 WO claimed
CN-113828342-B Cu-Pd-CeO 2 /γ-Al 2 O 3 Preparation of @ NP catalyst and synthesis of benzopyrazine compounds 浙江工业大学 2022-10-11 CN disclosed
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-26 US disclosed
CN-111094267-B Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2022-06-14 CN disclosed
CN-113828342-A Cu-Pd-CeO2/γ-Al2O3Preparation of @ NP catalyst and synthesis of benzopyrazine compounds 浙江工业大学 2021-12-24 CN disclosed
EP-3891142-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-10-13 EP disclosed
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 EP disclosed
US-4230867-A REDUCTION, CYCLIZATION OF NITROAZOBENZENES CIBA-GEIGY CORPORATION (US) 1980-10-28 US disclosed
US-4219480-A REDUCTION OF UNDESIRED BY-PRODUCT AND EFFLUENT POLLUTION PROBLEMS CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
EP-0006564-A2 2-(3.5-disubstituted-2-hydroxyphenyl)-2H-benzotriazoles and stabilized compositions containing them CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed
US-4141903-A REDUCTION AND CYCLIZATION OF THE CORRESPONDING O-NITROAZOBENZENES WITH CARBON MONOXIDE USING A COPPER-AMINE COMPLEX AS CATALYST CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4041044-A BY REDUCTION OF CORRESPONDING O-NITRO-AZOBENZENES WITH ZINC IN AQUEOUS ALKALI METAL HYDROXIDE CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-3992378-A HYPNOTIC AGENTS ELI LILLY AND COMPANY (US) 1976-11-16 US disclosed
US-3962440-A Quinoxaline compounds as hypnotic agents ELI LILLY AND COMPANY (US) 1976-06-08 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-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB TSHR 421/4885TDP1 4768/4885MAPT 3807/4885

“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.