SCHEMBL447770

SCHEMBL447770

N=C(N)Nc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.60
GAA P10253 6/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 4/20 0.52
THRB P10828 3/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CYP1A1 P04798 2/20 0.48
MEN1 O00255 2/20 0.48
CA12 O43570 2/20 0.48
CA3 P07451 2/20 0.48
CYP3A4 P08684 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
BRD4 O60885 1/20 0.48

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
Hydrochloric Acid SCHEMBL1593109 0.98 PEPD (0.58) PEPDGAAMAPTALDH1A1THRB
SCHEMBL1996992 0.89 F2 (0.50) PEPDGAAMAPTALDH1A1CYP3A4
Nitric Acid SCHEMBL2852035 0.86 PEPD (0.52) PEPDGAAMAPTALDH1A1THRB
SCHEMBL28592175 0.82 PEPD (0.52) PEPDGAAMAPTALDH1A1THRB
SCHEMBL399197 0.82 KIF11 (0.48) PEPDL3MBTL1F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL21645353 0.81 PEPD (0.50) PEPDGAAMAPTALDH1A1THRB
SCHEMBL7591375 0.80 TMEM97 (0.44) PEPDGAAMAPTALDH1A1THRB
SCHEMBL6880468 0.80 F2 (0.43) PEPDGAAMAPTALDH1A1CYP3A4
SCHEMBL1438380 0.80 MAPT (0.56) GAAMAPTALDH1A1THRBKDM4E
SCHEMBL348736 0.78 F2 (0.42) PEPDGAAMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204591-A1 METHOD OF ASSESSING THE CIRCADIAN RHYTHM OF A SUBJECT HAVING CANCER AND/OR ASSESSING A TIMING OF ADMINISTRATION OF A MEDICAMENT TO SAID SUBJECT HAVING CANCER Moreira Borralho Relógio, Angela (DE) 2023-07-05 EP claimed
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US claimed
US-6133279-A A 2,6-DI-T-BUTYLPHENOL DERIVATIVE FOR RENAL DISEASES, E.G., CHRONIC RENAL FAILURE, DIABETIC NEPHROPATHY GLOMERULAR NEPHRITIS, IMMUNOCOMPLEX NEPHRITIS AND ACUTE RENAL FAILURE; CYTOPROTECTIVE AGENT THAT INHIBITS THE LIPID PEROXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-10-17 US claimed
EP-0950405-A1 REMEDIES FOR RENAL DISEASES AND ORGAN-PRESERVING AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-20 EP claimed
EP-0893437-A1 TRYPTASE INHIBITOR AND NOVEL GUANIDINO DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-01-27 EP claimed
US-4452692-A Process for the hydrogenation of heavy oils KNEISSL HANNES 1984-06-05 US claimed
US-4388170-A GUANIDINIUM COMPOUND SCHMID KLAUS (DE) 1983-06-14 US claimed
EP-0030020-B1 PROCESS FOR THE OBTENTION OF LOW MOLECULAR WEIGHT HYDROCARBONS FROM HIGH MOLECULAR WEIGHT HYDROCARBONS OR FROM COAL WASAGCHEMIE HOLDING ZUG AG (CH) 1982-05-19 EP claimed
EP-0030020-A1 Process for the obtention of low molecular weight hydrocarbons from high molecular weight hydrocarbons or from coal WASAGCHEMIE HOLDING ZUG AG (CH) 1981-06-10 EP claimed
US-4025466-A CATALYTIC MIXTURE OF FUSED HETEROCYCLIC COMPOUND CONTAINING AMIDINE GROUP AND SALT OF CARBOXYLIC ACID S.A. PRB (BE) 1977-05-24 US claimed
JP-10101556-A None JP disclosed
EP-3071702-B1 SYNTHESIS OF L-NUCLEIC ACIDS BY MEANS OF AN ENZYME APTARION BIOTECH AG (DE) 2025-07-16 EP disclosed
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2024-08-29 US disclosed
CN-117925631-A Nucleotide sequence for regulating rice grain shape and grain weight and application thereof 江西农业大学 2024-04-26 CN disclosed
CN-117625641-A Nucleotide sequence for inhibiting germination of rice ears and application thereof 江西农业大学 2024-03-01 CN disclosed
EP-0030020-B1 PROCESS FOR THE OBTENTION OF LOW MOLECULAR WEIGHT HYDROCARBONS FROM HIGH MOLECULAR WEIGHT HYDROCARBONS OR FROM COAL WASAGCHEMIE HOLDING ZUG AG (CH) 1982-05-19 EP disclosed
WO-1981001576-A1 PROCESS FOR PRODUCING LOWER-MOLECULAR-WEIGHT HYDROCARBONS FROM HIGHER MOLECULAR-WEIGHT HYDROCARBONS AND AUXILIARY AGENTS THEREFOR SCHMID K (DE) 1981-06-11 WO disclosed
EP-0030020-A1 Process for the obtention of low molecular weight hydrocarbons from high molecular weight hydrocarbons or from coal WASAGCHEMIE HOLDING ZUG AG (CH) 1981-06-10 EP disclosed
US-4025466-A CATALYTIC MIXTURE OF FUSED HETEROCYCLIC COMPOUND CONTAINING AMIDINE GROUP AND SALT OF CARBOXYLIC ACID S.A. PRB (BE) 1977-05-24 US disclosed
US-3979384-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-09-07 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-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, GLUL PEPD 40/4885GAA 1088/4885MAPT 3478/4885

“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.