SCHEMBL6834014

SCHEMBL6834014

CSc1ncccc1C(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
SORT1 Q99523 2/20 0.53
AKR1C2 P52895 3/20 0.51
AKR1C1 Q04828 3/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6814111 0.81 SMN1; SMN2 (0.55) KMT2ASORT1AKR1C2AKR1C1AKR1C4
SCHEMBL6834682 0.77 SORT1 (0.60) KMT2ASORT1AKR1C2AKR1C1AKR1C4
SCHEMBL355357 0.76 ALDH1A1 (0.59) KMT2ANPC1TDP1TP53L3MBTL1
SCHEMBL1307640 0.76 ALDH1A1 (0.60) KMT2ASORT1AKR1C2AKR1C1AKR1C4
SCHEMBL6833870 0.75 MAPT (0.63) KMT2ASORT1AKR1C2AKR1C1AKR1C4
SCHEMBL1308673 0.75 AKR1C2 (0.62) KMT2AAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6834021 0.75 MAPT (0.54) KMT2ASORT1AKR1C2AKR1C1AKR1C4
SCHEMBL21870545 0.75 KMT2A (0.63) KMT2ANPC1LMNATDP1L3MBTL1
Hydrochloric Acid SCHEMBL1375604 0.74 ALDH1A1 (0.62) KMT2ANPC1TDP1TP53L3MBTL1
SCHEMBL1310012 0.74 AKR1C2 (0.60) KMT2ASORT1AKR1C2AKR1C1AKR1C4

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 KMT2A 2853/4885SORT1 2421/4885AKR1C2 2596/4885

“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.