SCHEMBL887947

SCHEMBL887947

[2H]c1ccccc1NC(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.60
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
NPC1 O15118 9/20 0.53
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NLRP3 Q96P20 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
SRC P12931 2/20 0.43
USP2 O75604 2/20 0.43
MAPT P10636 2/20 0.43
FGFR1 P11362 1/20 0.43
XBP1 P17861 1/20 0.42

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
SCHEMBL29972560 0.92 EGFR (0.70) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL39159 0.92 EGFR (0.70) EGFRMEN1KMT2ANPC1RAB9A
Potassium SCHEMBL30173582 0.91 EGFR (0.69) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL25225907 0.91 EGFR (0.69) EGFRMEN1KMT2ANPC1RAB9A
Lithium SCHEMBL30227618 0.91 EGFR (0.69) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL25255808 0.91 EGFR (0.69) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL25255502 0.91 EGFR (0.69) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL30227615 0.91 EGFR (0.69) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL15154326 0.84 EGFR (0.59) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL15154333 0.84 EGFR (0.59) EGFRMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010238-A1 DEUTERATED N-ETHYL-N-PHENYL-1,2-DIHYDRO-4-HYDROXY-5-CHLORO-1-METHYL-2-OXOQUINOLINE-3-CARBOXAMIDE, SALTS AND USES THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2012-01-12 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-20120010238-A1 DEUTERATED N-ETHYL-N-PHENYL-1,2-DIHYDRO-4-HYDROXY-5-CHLORO-1-METHYL-2-OXOQUINOLINE-3-CARBOXAMIDE, SALTS AND USES THEREOF HDHD5, DDAH1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 3924/4885MEN1 1098/4885KMT2A 209/4885

“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.