SCHEMBL6709121

SCHEMBL6709121

COc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
PRNP P04156 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLCG2 P16885 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
BCAT1 P54687 1/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL6710058 0.93 KDM4E (0.42) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6711722 0.86 KDM4E (0.57) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6707911 0.86 KDM4E (0.57) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6710369 0.86 KDM4E (0.49) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6707766 0.85 NPC1 (0.45) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL6707805 0.83 KDM4E (0.49) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6712473 0.82 KMT2A (0.45) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL6708816 0.81 ALOX15 (0.44) RXFP1KMT2A
SCHEMBL6710254 0.80 NPC1 (0.40) NPC1RAB9A
SCHEMBL6707721 0.80 PARP14 (0.41) KDM4EALDH1A1L3MBTL1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 KDM4E 1582/4885MAPT 4754/4885ALDH1A1 123/4885

“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.