SCHEMBL6835698

SCHEMBL6835698

Cc1cnc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.54
STING1 Q86WV6 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
AKR1C2 P52895 2/20 0.51
AKR1C1 Q04828 2/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
P2RY14 Q15391 1/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6833266 0.84 STING1 (0.50) SORT1STING1SMN1; SMN2MEN1KMT2A
SCHEMBL6835830 0.78 AKR1C2 (0.46) SORT1STING1MEN1KMT2AAKR1C2
SCHEMBL6833147 0.78 POLB (0.53) STING1MEN1KMT2AAKR1C2AKR1C1
SCHEMBL6834036 0.78 SMN1; SMN2 (0.58) SORT1STING1SMN1; SMN2NPC1MEN1
SCHEMBL6834682 0.77 SORT1 (0.60) SORT1STING1NPC1MEN1KMT2A
SCHEMBL6833223 0.77 POLB (0.52) STING1MEN1KMT2AAKR1C2AKR1C1
SCHEMBL6835741 0.76 NFKB1 (0.57) STING1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6835614 0.76 MEN1 (0.47) STING1MEN1KMT2AAKR1C2AKR1C1
SCHEMBL6835681 0.76 STING1 (0.45) SORT1STING1MEN1KMT2AAKR1C2
SCHEMBL6819558 0.76 POLB (0.51) STING1MEN1KMT2AAKR1C2AKR1C1

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 claimed
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 SORT1 2421/4885STING1 95/4885SMN1; 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.