SCHEMBL6834052

SCHEMBL6834052

COc1cccc2[nH]c(C(=O)Nc3ccc(C#N)cc3C(=O)O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
RCE1 Q9Y256 1/20 0.51
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 1/20 0.50
FLT3 P36888 2/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GFER P55789 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL6712473 0.80 KMT2A (0.45) KMT2AMEN1RCE1RAB9APOLB
SCHEMBL6834022 0.80 NPC1 (0.55) RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6708020 0.79 KMT2A (0.47) KMT2AMEN1RCE1RAB9APOLB
SCHEMBL6833112 0.79 KDM4E (0.57) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL6349877 0.76 CHEK1 (0.66) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL6357140 0.76 MEN1 (0.60) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL6834412 0.76 KDM4E (0.55) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL6835708 0.76 CCKAR (0.51) RAB9ANPC1LMNASMN1; SMN2
SCHEMBL6352362 0.75 CHEK1 (0.54) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL19476093 0.75 KMT2A (0.59) KMT2AMEN1RCE1RAB9APOLB

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885RCE1 3353/4885

“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.