SCHEMBL333510

SCHEMBL333510

O=C(O)/C=C/c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.72
JUN P05412 1/20 0.72
HCAR2 Q8TDS4 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
TNKS O95271 1/20 0.64
TNKS2 Q9H2K2 1/20 0.64
CA12 O43570 2/20 0.59
AKR1B10 O60218 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59

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
SCHEMBL333511 1.00 NFKB1 (0.72) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL5717836 1.00 NFKB1 (0.72) NFKB1JUNHCAR2HDAC1HDAC6
Hydrochloric Acid SCHEMBL7439430 0.98 NFKB1 (0.69) NFKB1JUNHCAR2HDAC1HDAC6
Hydrochloric Acid SCHEMBL7439425 0.98 NFKB1 (0.69) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL7978817 0.96 NFKB1 (0.67) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL7978810 0.96 NFKB1 (0.67) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL7978819 0.96 NFKB1 (0.67) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL7978812 0.96 NFKB1 (0.67) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL11826842 0.88 HCAR2 (0.57) NFKB1JUNHCAR2HDAC1HDAC6
SCHEMBL11826834 0.88 HCAR2 (0.57) NFKB1JUNHCAR2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402930-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS PRG S&TECH INC. (KR) 2022-12-22 US claimed
EP-4056573-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS PRG S&Tech Inc. (KR) 2022-09-14 EP claimed
CN-114929711-A Use of novel compounds for preventing, ameliorating or treating amyotrophic lateral sclerosis PRG科技株式会社 2022-08-19 CN claimed
US-20220039382-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS UNIVERSITEIT GENT (BE) 2022-02-10 US claimed
EP-3897147-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS Universiteit Gent (BE) 2021-10-27 EP claimed
WO-2021086101-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS (주)피알지에스앤텍 2021-05-06 WO claimed
CN-111918881-A Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2020-11-10 CN claimed
EP-3726990-A1 COMPOUNDS FOR CONTROLLING PLANT PATHOGENS Universiteit Gent (BE) 2020-10-28 EP claimed
US-20200305428-A1 COMPOUNDS FOR CONTROLLING PLANT PATHOGENS UNIVERSITEIT GENT (BE) 2020-10-01 US claimed
WO-2020127216-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS UNIVERSITEIT GENT (BE) 2020-06-25 WO claimed
EP-2969029-A2 USE OF COSMETICALLY OR DERMATOLOGICALLY SAFE SUBSTITUTED MICHAEL ACCEPTORS FOR THE PREVENTION, REDUCTION OR PROPHYLAXIS OF THE TYROSINASE ACTIVITY OF THE HUMAN SKIN AND/OR THE LIGHTENING OF THE HUMAN SKIN Beiersdorf AG (DE) 2016-01-20 EP claimed
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-12 US claimed
CN-105050663-A Use of cosmetically and dermatologically safe substituted michael acceptors to prevent, reduce or prevent human skin tyrosinase activity and/or to lighten skin BEIERSDORF AG 2015-11-11 CN claimed
EP-2790260-A1 COMPOSITION FOR GEL POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING SAME LG Chem, Ltd. (KR) 2014-10-15 EP claimed
EP-2782182-A1 LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2014-09-24 EP claimed
WO-2014139756-A2 USE OF COSMETICALLY OR DERMATOLOGICALLY SAFE SUBSTITUTED MICHAEL ACCEPTORS FOR THE PREVENTION, REDUCTION OR PROPHYLAXIS OF THE TYROSINASE ACTIVITY OF THE HUMAN SKIN AND/OR THE LIGHTENING OF THE HUMAN SKIN BEIERSDORF AG (DE) 2014-09-18 WO claimed
US-20140220452-A1 LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2014-08-07 US claimed
US-20140220427-A1 COMPOSITION FOR GEL POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME LG CHEM, LTD. (KR) 2014-08-07 US claimed
US-8608932-B2 Cyanide-free silver electroplating solutions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2013-12-17 US claimed
US-20120067735-A1 CYANIDE-FREE SILVER ELECTROPLATING SOLUTIONS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2012-03-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20220039382-A1 METHOD AND COMPOUNDS TO INDUCE PLANT TOLERANCE AGAINST ARTHROPOD PESTS BROX, DDT, CAT NFKB1 3663/4885JUN 2569/4885HCAR2 3116/4885
US-20200305428-A1 COMPOUNDS FOR CONTROLLING PLANT PATHOGENS HPD, HAAO, NCEH1 NFKB1 1769/4885JUN 2672/4885HCAR2 340/4885
US-20220402930-A1 USE OF NOVEL COMPOUND, FOR PREVENTING, IMPROVING OR TREATING AMYOTROPHIC LATERAL SCLEROSIS SOD1, SLC75A1, SLC43A1 NFKB1 2099/4885JUN 3245/4885HCAR2 3874/4885
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES OR10J3, OR51E2, MSMO1 NFKB1 4857/4885JUN 4827/4885HCAR2 2620/4885

“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.