SCHEMBL6834044

SCHEMBL6834044

N#Cc1ccc(NC(=S)c2cc(-c3ccccc3F)on2)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.45
SCD O00767 2/20 0.45
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39
MAP2K1 Q02750 1/20 0.39
SIRT5 Q9NXA8 1/20 0.37
ACKR3 P25106 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ALB P02768 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6830647 0.90 KMT2A (0.49) SCD5SCDALDH1A1NPC1RAB9A
SCHEMBL6833848 0.79 KMT2A (0.56) SCDALDH1A1NPC1RAB9AHPGD
SCHEMBL6833933 0.79 NPC1 (0.54) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL6833885 0.79 TDP1 (0.49) SCDALDH1A1NPC1RAB9AHPGD
SCHEMBL6813586 0.78 ALDH1A1 (0.44) SCDALDH1A1NPC1RAB9AHPGD
SCHEMBL6834026 0.78 KMT2A (0.46) SCDALDH1A1NPC1RAB9AHPGD
SCHEMBL6818899 0.78 KMT2A (0.57) SCD5SCDALDH1A1NPC1RAB9A
SCHEMBL6830546 0.76 KMT2A (0.53) SCD5ALDH1A1NPC1RAB9AHPGD
SCHEMBL6813729 0.76 TDP1 (0.55) SCDALDH1A1NPC1RAB9AMEN1
SCHEMBL6817690 0.76 HSD17B10 (0.62) ALDH1A1NPC1RAB9AHPGDMEN1

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 SCD5 919/4885SCD 1466/4885ALDH1A1 170/4885

“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.