SCHEMBL2437759

SCHEMBL2437759

Cc1cc([N+](=O)[O-])cc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
HTT P42858 3/20 0.52
ALDH1A1 P00352 6/20 0.51
CYP19A1 P11511 1/20 0.50
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR35 Q9HC97 1/20 0.45
CHEK1 O14757 1/20 0.44
DAPK3 O43293 1/20 0.44
GRK5 P34947 1/20 0.44
LIMK1 P53667 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
POLB P06746 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
Ammonia Solution, Strong SCHEMBL28208001 0.98 TSHR (0.56) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL31481313 0.85 MAPT (0.51) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL899149 0.85 TSHR (0.48) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL29664408 0.85 TSHR (0.48) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL5864975 0.85 TSHR (0.48) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL5652028 0.85 TSHR (0.48) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL11843690 0.82 TSHR (0.45) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL10962494 0.82 TSHR (0.45) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL11847353 0.80 TSHR (0.44) TSHRHTTALDH1A1CYP19A1MAPT
SCHEMBL18299386 0.80 CYP1A2 (0.46) TSHRHTTALDH1A1CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109748852-A A kind of synthetic method of 2,6- dimethyl -4- bromopyridine 丹阳市宁大卫防检测技术有限公司 2019-05-14 CN claimed
CN-107162964-A A kind of synthetic method of the bromopyridine of 2,6 dimethyl 4 刘瑞海 2017-09-15 CN claimed
US-9132115-B2 Lipid raft, caveolin protein, and caveolar function modulation compounds and associated synthetic and therapeutic methods KAY HEIDI (US) 2015-09-15 US claimed
CN-104592200-A Chiral paramagnetic probe using 1,4,7,10-tetraazacyclododecane as skeleton UNIV NANKAI 2015-05-06 CN claimed
US-20130253050-A1 LIPID RAFT, CAVEOLIN PROTEIN,, AND CAVEOLAR FUNCTION MODULATION COMPOUNDS AND ASSOCIATED SYNTHETIC AND THERAPEUTIC METHODS KAY HEIDI (US) 2013-09-26 US claimed
US-8425921-B1 Lipid raft, caveolin protein, and caveolar function modulation compounds and associated synthetic and therapeutic methods KAY HEIDI (US) 2013-04-23 US claimed
US-8026382-B2 Lipid raft, caveolin protein, and caveolar function modulation compounds and associated synthetic and therapeutic methods KAY HEIDI 2011-09-27 US claimed
WO-2008144616-A1 LIPID RAFT, CAVEOLIN PROTEIN, AND CAVEOLAR FUNCTION MODULATION COMPOUNDS AND ASSOCIATED SYNTHETIC AND THERAPEUTIC METHODS KAY HEIDI (US) 2008-11-27 WO claimed
US-20080286316-A1 Lipid raft, caveolin protein, and caveolar function modulation compounds and associated synthetic and therapeutic methods KAY HEIDI 2008-11-20 US claimed
WO-2007006019-A1 MATERIALS AND METHODS FOR SCREENING, DIAGNOSIS AND PROGNOSIS OF CONDITIONS ASSOCIATED WITH STAT PROTEIN EXPRESSION UNIVERSITY OF SOUTH FLORIDA (US) 2007-01-11 WO claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
CN-117043153-A Heterocyclic compounds as GLS1 inhibitors 杭州紫晶医药科技有限公司 2023-11-10 CN disclosed
WO-2022122044-A1 HETEROCYCLIC COMPOUND SERVING AS GLS1 INHIBITOR 杭州紫晶医药科技有限公司 2022-06-16 WO disclosed
CN-109748852-A A kind of synthetic method of 2,6- dimethyl -4- bromopyridine 丹阳市宁大卫防检测技术有限公司 2019-05-14 CN disclosed
CN-109748852-A A kind of synthetic method of 2,6- dimethyl -4- bromopyridine 丹阳市宁大卫防检测技术有限公司 2019-05-14 CN disclosed
US-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-01 US disclosed
WO-2009104167-A1 A SUBSTANCE OR COMPOSITION FOR THE TREATMENT OF CANCER MINTEK (ZA) 2009-08-27 WO disclosed
WO-2007006019-A1 MATERIALS AND METHODS FOR SCREENING, DIAGNOSIS AND PROGNOSIS OF CONDITIONS ASSOCIATED WITH STAT PROTEIN EXPRESSION UNIVERSITY OF SOUTH FLORIDA (US) 2007-01-11 WO disclosed
US-4038398-A PROPHYLACTIC TREATMENT FOR ALLERGY AND ANAPHYLACTIC REACTIONS ION THE UPJOHN COMPANY (US) 1977-07-26 US disclosed
US-3963660-A ANTI-ALLERGY THE UPJOHN COMPANY (US) 1976-06-15 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 (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-20080286316-A1 Lipid raft, caveolin protein, and caveolar function modulation compounds and associated synthetic and therapeutic methods CD4, VAPB, PXMP4 TSHR 1014/4885HTT 3069/4885ALDH1A1 4369/4885
US-20130253050-A1 LIPID RAFT, CAVEOLIN PROTEIN,, AND CAVEOLAR FUNCTION MODULATION COMPOUNDS AND ASSOCIATED SYNTHETIC AND THERAPEUTIC METHODS VAPB, CD4, VAPA TSHR 926/4885HTT 2834/4885ALDH1A1 4236/4885
US-20100168077-A1 Novel Pyridine Derivatives, Processes for Preparing Them, Pharmaceutical Compositions Thereof CYP4B1, CYP3A4, CYP2C19 TSHR 3902/4885HTT 3520/4885ALDH1A1 488/4885

“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.