SCHEMBL6818779

SCHEMBL6818779

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.43
MCL1 Q07820 1/20 0.43
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GPR6 P46095 1/20 0.40
GFER P55789 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL6833979 0.93 HTT (0.52) ALBMEN1KMT2AMAPTTP53
SCHEMBL6819583 0.92 ALB (0.53) ALBMEN1KMT2AMAPTTP53
SCHEMBL6833972 0.90 ALB (0.44) ALBMEN1KMT2AMAPTTP53
SCHEMBL6821690 0.90 ALB (0.49) ALBMEN1KMT2AMAPTTSHR
SCHEMBL6932502 0.89 ALB (0.54) ALBMEN1KMT2AMAPTTP53
SCHEMBL6818233 0.89 ALB (0.47) ALBMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6830633 0.89 MEN1 (0.48) ALBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6835846 0.89 ALB (0.66) ALBMEN1KMT2AMAPTTP53
SCHEMBL6930797 0.89 ALB (0.53) ALBMEN1KMT2AMAPTTP53
SCHEMBL6834002 0.88 MAPT (0.52) ALBMEN1KMT2AMAPTMCL1

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 1417/4885MEN1 4132/4885KMT2A 2853/4885

“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.