SCHEMBL6358702

SCHEMBL6358702

CC(=O)c1ccc(NC([NH])=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
NPC1 O15118 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 6/20 0.60
TAAR1 Q96RJ0 1/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
HTT P42858 1/20 0.58
NLRP1 Q9C000 1/20 0.58
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
GAA P10253 1/20 0.51
MCL1 Q07820 1/20 0.51

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
SCHEMBL28357396 0.83 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL29650098 0.83 MAPT (0.60) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL3633396 0.82 NPC1 (0.84) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL474757 0.82 ALDH1A1 (0.70) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL5973851 0.81 NPC1 (0.65) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL8476851 0.80 KMT2A (0.60) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6459176 0.80 NPC1 (0.69) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL3825140 0.80 MAPT (0.68) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL18739883 0.79 MAPT (0.56) MAPTNPC1SMN1; SMN2RAB9ATAAR1
SCHEMBL6931409 0.79 MAPT (0.56) MAPTNPC1SMN1; SMN2RAB9ATAAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 MAPT 4753/4885NPC1 3512/4885SMN1; SMN2 3015/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 MAPT 4754/4885NPC1 3891/4885SMN1; SMN2 2635/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 MAPT 4759/4885NPC1 3778/4885SMN1; SMN2 2022/4885

“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.