SCHEMBL282988

SCHEMBL282988

N=C(NO)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NAPRT Q6XQN6 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2A6 P11509 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
KDM1A O60341 1/20 0.39
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
PLOD1 Q02809 1/20 0.39

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
SCHEMBL14061856 0.82 FFAR1 (0.40) HDAC1HDAC6KDM1AHDAC8
SCHEMBL12348299 0.81 HSD17B10 (0.36) ALDH1A1HDAC1HDAC6CYP2C19LMNA
SCHEMBL8272442 0.78 ALDH1A1 (0.43) ALDH1A1NAPRTCYP1A2CYP3A4CYP2D6
SCHEMBL4514910 0.78 CYP2D6 (0.56) ALDH1A1NAPRTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27786828 0.76 ALDH1A1 (0.41) ALDH1A1NAPRTCYP1A2CYP3A4CYP2D6
SCHEMBL16791187 0.75 TP53 (0.42) ALDH1A1NAPRTCYP1A2CYP3A4CYP2D6
SCHEMBL3676703 0.75 HCAR2 (0.48) HDAC1HDAC6HDAC4
SCHEMBL16791675 0.75 CYP2D6 (0.42) ALDH1A1NAPRTCYP1A2CYP3A4CYP2D6
Benzamidoxime SCHEMBL194059 0.74 HDAC8 (0.50) ALDH1A1NAPRTHDAC1HDAC6CYP3A4
SCHEMBL283481 0.73 HDAC1 (0.60) ALDH1A1HDAC1HDAC6CYP1A2CYP3A4

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 184 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-2207750-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC Technology, INC. (US) 2010-07-21 EP claimed
EP-2207872-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF 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-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
WO-2009058273-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION 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
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2022-12-08 US disclosed
WO-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed
EP-1339710-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES Amrad Operations Pty.,Ltd. (AU) 2003-09-03 EP disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2002036590-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2002-05-10 WO disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 WO 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 (6 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 ALDH1A1 353/4885NAPRT 1571/4885HDAC1 3312/4885
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 ALDH1A1 494/4885NAPRT 3894/4885HDAC1 153/4885
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 ALDH1A1 137/4885NAPRT 250/4885HDAC1 2424/4885
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION HNMT, HMOX2, EGLN2 ALDH1A1 801/4885NAPRT 898/4885HDAC1 2205/4885
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION GNMT, NIT2, NNMT ALDH1A1 3167/4885NAPRT 69/4885HDAC1 4108/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 ALDH1A1 376/4885NAPRT 362/4885HDAC1 593/4885

“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.