SCHEMBL641911

SCHEMBL641911

N/C(=N\O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.53
BRAF P15056 2/20 0.49
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLG P00747 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 4/20 0.43
NAPRT Q6XQN6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL282989 1.00 KDM1A (0.53) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL282987 1.00 KDM1A (0.53) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL5473610 0.87 BRAF (0.59) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL14153247 0.87 BRAF (0.59) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL21658656 0.82 NPC1 (0.48) RAB9ANPC1LMNASMN1; SMN2PLG
SCHEMBL3064530 0.82 LMNA (0.58) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL7296547 0.82 CYP17A1 (0.57) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL14153032 0.82 FLT3 (0.45) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL14061857 0.82 FLT3 (0.45) KDM1ABRAFMAPK3MAPK1RAB9A
SCHEMBL3064531 0.82 LMNA (0.58) KDM1ABRAFMAPK3MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US claimed
EP-2207872-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC Technology, INC. (US) 2010-07-21 EP claimed
EP-2207750-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC Technology, INC. (US) 2010-07-21 EP claimed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US claimed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US claimed
WO-2009058273-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO claimed
WO-2009058277-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO claimed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO claimed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US claimed
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US claimed
US-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2024-04-18 US disclosed
CN-117813004-A Auxin herbicide and application method thereof 科迪华农业科技有限责任公司 2024-04-02 CN disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2022-12-08 US disclosed
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2022-12-08 US disclosed
WO-2007013830-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & CA. S.A. (PT) 2007-02-01 WO disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 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 (7 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-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF DDT, HACL2, ALAD KDM1A 3143/4885BRAF 2728/4885MAPK3 3135/4885
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KDM1A 972/4885BRAF 1147/4885MAPK3 1240/4885
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 KDM1A 2528/4885BRAF 2349/4885MAPK3 1546/4885
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 KDM1A 3137/4885BRAF 2287/4885MAPK3 1427/4885
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION HNMT, HMOX2, EGLN2 KDM1A 809/4885BRAF 3166/4885MAPK3 3983/4885
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION GNMT, NIT2, NNMT KDM1A 2003/4885BRAF 1840/4885MAPK3 2869/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 KDM1A 603/4885BRAF 403/4885MAPK3 1817/4885

“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.