SCHEMBL6833069

SCHEMBL6833069

COc1cccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)[nH]c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.44
PARP14 Q460N5 2/20 0.44
PPARD Q03181 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP13 P45452 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
KCNQ2 O43526 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6834350 0.93 ALDH1A1 (0.50) POLBPARP14PPARDMEN1KMT2A
SCHEMBL6834504 0.90 LMNA (0.47) PARP14MEN1KMT2ALMNAALDH1A1
SCHEMBL6833726 0.90 PARP14 (0.45) POLBRAB9APARP14MEN1KMT2A
SCHEMBL6833157 0.89 PARP14 (0.42) POLBPARP14MEN1KMT2ALMNA
SCHEMBL6834298 0.88 MEN1 (0.44) RAB9APARP14PPARDMEN1KMT2A
SCHEMBL6833821 0.88 NHERF1 (0.43) POLBPARP14MEN1KMT2ALMNA
SCHEMBL6833973 0.88 PARP14 (0.42) POLBPARP14MAPTLMNATP53
SCHEMBL6833113 0.87 SMN1; SMN2 (0.46) POLBRAB9AMEN1KMT2AMAPT
SCHEMBL6834072 0.87 ALDH1A1 (0.41) RAB9APARP14MEN1KMT2AMAPT
SCHEMBL6834412 0.86 KDM4E (0.55) MEN1KMT2AMAPTLMNATP53

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 3 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
WO-2004018428-A1 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 POLB 637/4885RAB9A 4337/4885PARP14 2395/4885

“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.