SCHEMBL6834026

SCHEMBL6834026

Cc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
HCRTR1 O43613 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
SCD O00767 1/20 0.42

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
SCHEMBL6833885 0.89 TDP1 (0.49) KMT2AMEN1NPC1RAB9AGSK3A
SCHEMBL6833848 0.89 KMT2A (0.56) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL6833933 0.89 NPC1 (0.54) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL6830647 0.88 KMT2A (0.49) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL6813586 0.88 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL6817690 0.87 HSD17B10 (0.62) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6813729 0.86 TDP1 (0.55) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6818899 0.85 KMT2A (0.57) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL6835694 0.85 KMT2A (0.49) KMT2AMEN1NPC1RAB9AHCRTR1
SCHEMBL6833783 0.85 HSD17B10 (0.49) KMT2AMEN1NPC1RAB9AALDH1A1

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 2853/4885MEN1 4132/4885NPC1 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.