SCHEMBL6710173

SCHEMBL6710173

O=C(Cc1cccc2ccccc12)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NHERF1 O14745 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 3/20 0.39
MAPK9 P45984 3/20 0.39
MAPK10 P53779 3/20 0.39
PARP14 Q460N5 1/20 0.39
POLB P06746 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6708676 0.93 PARP14 (0.43) KMT2AMEN1NPY5RALDH1A1NHERF1
SCHEMBL6713328 0.91 NHERF1 (0.40) KMT2AMEN1ALDH1A1NHERF1HDAC3
SCHEMBL6707757 0.91 KMT2A (0.49) KMT2AMEN1ALDH1A1HDAC3HDAC1
SCHEMBL6710475 0.90 GALR3 (0.40) KMT2AMEN1ALDH1A1NHERF1LMNA
SCHEMBL6713988 0.90 GAA (0.50) KMT2AMEN1ALDH1A1NHERF1HDAC3
SCHEMBL6713410 0.90 PKM (0.40) KMT2AMEN1NPY5RNHERF1LMNA
SCHEMBL6708820 0.90 PARP14 (0.41) KMT2AMEN1NPY5RALDH1A1NHERF1
SCHEMBL6709843 0.89 GAA (0.40) KMT2AMEN1NHERF1KDM4E
SCHEMBL6707755 0.89 PARP14 (0.43) KMT2AMEN1ALDH1A1NHERF1LMNA
SCHEMBL6708924 0.88 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HDAC3HDAC1

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 KMT2A 3181/4885MEN1 4100/4885NPY5R 3360/4885

“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.