SCHEMBL6710177

SCHEMBL6710177

CCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 3/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GPR35 Q9HC97 2/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35

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
SCHEMBL6708881 0.98 HDAC3 (0.41) MEN1ALDH1A1KMT2APOLBHDAC3
SCHEMBL6710310 0.97 HDAC3 (0.42) MEN1ALDH1A1KMT2APOLBHDAC3
SCHEMBL6710164 0.97 HDAC3 (0.42) MEN1ALDH1A1KMT2APOLBHDAC3
SCHEMBL6712420 0.95 PARP14 (0.38) MEN1ALDH1A1KMT2APOLBHDAC3
SCHEMBL6710241 0.92 GPR35 (0.43) KMT2APOLBMAPTLMNATP53
SCHEMBL6710214 0.91 HDAC3 (0.40) POLBHDAC3HDAC1MAPTLMNA
SCHEMBL6710257 0.91 HDAC3 (0.43) POLBHDAC3HDAC1MAPTLMNA
SCHEMBL6707884 0.90 HDAC3 (0.40) ALDH1A1POLBHDAC3HDAC1MAPT
SCHEMBL6713806 0.90 NPC1 (0.46) MEN1KMT2AHDAC3HDAC1HIF1A
SCHEMBL6710374 0.89 NPC1 (0.43) HDAC3HDAC1HIF1ANPSR1RXFP1

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 MEN1 4100/4885ALDH1A1 123/4885KMT2A 3181/4885

“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.