SCHEMBL6818191

SCHEMBL6818191

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCCC1CN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.42
HRH3 Q9Y5N1 1/20 0.37
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
FLT3 P36888 1/20 0.36
ITK Q08881 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 3/20 0.33
BRD2 P25440 3/20 0.33
BRD3 Q15059 3/20 0.33
BRDT Q58F21 3/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL6830587 0.91 ALB (0.44) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6821795 0.91 KMT2A (0.43) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6834003 0.90 ALB (0.42) ALB
SCHEMBL6830277 0.87 ALB (0.45) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6830175 0.86 ALB (0.46) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6932502 0.83 ALB (0.54) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6930797 0.83 ALB (0.53) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6833363 0.81 ALB (0.46) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6817870 0.81 ALB (0.51) ALBMEN1KMT2AMAPTALDH1A1
SCHEMBL6814358 0.81 ALB (0.51) ALBMEN1KMT2AMAPTALDH1A1

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 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 ALB 1417/4885HRH3 1290/4885KIT 3208/4885

“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.