SCHEMBL2265823

SCHEMBL2265823

N#CCC(=O)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
ERCC1 P07992 4/20 0.56
ERCC4 Q92889 4/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
P2RX7 Q99572 7/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.50
NLRP1 Q9C000 1/20 0.50
MCL1 Q07820 1/20 0.50
TSHR P16473 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
SCHEMBL2266083 0.85 P2RX7 (0.54) ALDH1A1ERCC1ERCC4P2RX7MAPT
SCHEMBL22803045 0.85 ERCC1 (0.53) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL29334787 0.82 LMNA (0.58) ALDH1A1LMNAMAPTMAPK1NLRP1
SCHEMBL2264620 0.81 NPC1 (0.62) ALDH1A1NPC1RAB9AMAPK1MCL1
SCHEMBL1143282 0.81 ALDH1A1 (0.64) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL1143378 0.80 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL17914676 0.80 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL7241336 0.80 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL17372538 0.78 ALDH1A1 (0.61) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL12354898 0.78 ALDH1A1 (0.74) ALDH1A1ERCC1ERCC4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020249821-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-12-17 WO disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
US-4104273-A Derivatives of 3-cyano-pyrid-2-ones ROHM AND HAAS COMPANY (US) 1978-08-01 US disclosed
US-4028084-A Derivatives of 3-carboxy pyrid-2-ones ROHM AND HAAS COMPANY (US) 1977-06-07 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 ALDH1A1 2744/4885ERCC1 2563/4885ERCC4 1899/4885

“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.