SCHEMBL6833895

SCHEMBL6833895

N#Cc1ccc(NC(=O)c2nc3ccccc3s2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
PKM P14618 3/20 0.55
NPC1 O15118 2/20 0.55
NFKB1 P19838 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
HDAC1 Q13547 1/20 0.55
THRB P10828 1/20 0.54
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
PRSS12 P56730 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL6834280 0.81 NR1H4 (0.54) SMN1; SMN2NPC1RAB9AKDM4ENPSR1
SCHEMBL6833082 0.80 JAK2 (0.44) PKMNPC1RAB9ANPSR1PRSS12
SCHEMBL6830407 0.79 MEN1 (0.71) SMN1; SMN2PKMNPC1KDM4EMAPK1
SCHEMBL2275537 0.78 HDAC1 (0.78) SMN1; SMN2PKMNPC1NFKB1RAB9A
SCHEMBL2273799 0.77 HDAC1 (0.73) SMN1; SMN2PKMNPC1NFKB1RAB9A
SCHEMBL6833642 0.77 RAB9A (0.67) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL6353963 0.77 KMT2A (0.62) PKMMEN1KMT2AMAPTHTT
SCHEMBL6348609 0.76 KMT2A (0.44) PKMNPC1RAB9ATHRBKDM4E
SCHEMBL6834585 0.75 LMNA (0.47) SMN1; SMN2NPC1RAB9AKDM4EMAPK1
SCHEMBL6348677 0.75 SERPINE1 (0.66) PKMNPC1RAB9AKDM4ENPSR1

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 1 patent. 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

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 SMN1; SMN2 2022/4885PKM 3785/4885NPC1 3778/4885

“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.