SCHEMBL6710138

SCHEMBL6710138

Cc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 3/20 0.47
▸ SETD2 Q9BYW2 3/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.39
▸ HRH4 Q9H3N8 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ POLB P06746 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL6710380 0.89 MAP3K5 (0.43) NSD2POLBNPC1RAB9ARXFP1
SCHEMBL6712039 0.89 MAP3K5 (0.40) NSD2HRH4POLBRXFP1TP53
SCHEMBL6709865 0.89 HDAC1 (0.36) NSD2HRH4HDAC3HDAC1POLB
SCHEMBL6710250 0.88 KMT2A (0.42) NSD2HDAC1NPC1RAB9ARXFP1
SCHEMBL6711981 0.87 ALDH1A1 (0.39) NSD2HDAC3HDAC1POLBNPC1
SCHEMBL6710254 0.87 NPC1 (0.40) NPC1RAB9ALMNADRD2DRD3
SCHEMBL6709197 0.87 IRAK4 (0.42) HDAC1NPC1RAB9ARXFP1MEN1
SCHEMBL6713312 0.86 TDP1 (0.38) HDAC1NPC1RAB9ARXFP1MEN1
SCHEMBL6710194 0.86 NSD2 (0.50) NSD2SETD2SMYD3HRH4HDAC3
SCHEMBL6707722 0.86 NSD2 (0.50) NSD2SETD2SMYD3HRH4HDAC3

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 NSD2 3824/4885SETD2 3470/4885SMYD3 3161/4885

“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.

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