SCHEMBL9168941

SCHEMBL9168941

NNC(=O)C(=O)Nc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.56
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
S1PR4 O95977 1/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
S1PR1 P21453 1/20 0.50

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
SCHEMBL6859262 0.90 CYP1A2 (0.64) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL10780629 0.85 MEN1 (0.61) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL9036644 0.82 CYP1A2 (0.68) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL6858071 0.82 CYP1A2 (0.56) MAPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL15147336 0.82 GAA (0.46) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL881579 0.82 LMNA (0.64) MAPTKDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL5119113 0.81 CYP1A2 (0.66) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL8645476 0.80 GPR35 (0.68) MAPTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL29537172 0.79 CYP1A2 (0.75) MAPTKDM4EALDH1A1LMNACYP1A2
SCHEMBL2175829 0.79 CYP1A2 (0.75) MAPTKDM4EALDH1A1LMNACYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196986-A1 TRIAZOLOPYRAZINONES AS P2X7 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2013-08-01 US disclosed
EP-0368237-B1 Polymer bound flame retardants ATOCHEM NORTH AMERICA (US) 1995-04-12 EP disclosed
US-5220015-A Having hydrazide group to chemically bond to anhydride-containing polymers ELF ATOCHEM NORTH AMERICA, INC. (US) 1993-06-15 US disclosed
US-5140070-A Halogenated aromatic compounds having acylamino functional groups bonded to imide containing polymer ELF ATOCHEM NORTH AMERICA, INC (US) 1992-08-18 US disclosed
US-5037894-A Maleic anhydride polymer reacted with halogenated hydrazide compound or derivative ATOCHEM NORTH AMERICA, INC. (US) 1991-08-06 US disclosed
EP-0368237-A2 Polymer bound flame retardants ELF ATOCHEM NORTH AMERICA, INC. (US) 1990-05-16 EP disclosed
EP-0126326-B1 PROCESS FOR PREPARING 1,2,4-TRIAZOLE-3-CARBOXAMIDES UBE INDUSTRIES, LTD. (JP) 1987-08-05 EP disclosed
US-4578479-A Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1986-03-25 US disclosed
EP-0126326-A1 Process for preparing 1,2,4-triazole-3-carboxamides UBE INDUSTRIES, LTD. (JP) 1984-11-28 EP 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-20130196986-A1 TRIAZOLOPYRAZINONES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 MAPT 3912/4885KDM4E 2324/4885ALDH1A1 1855/4885

“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.