SCHEMBL6930873

SCHEMBL6930873

CCCC(C)Sc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.60
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
F10 P00742 1/20 0.40
PLK1 P53350 8/20 0.40
EGLN1 Q9GZT9 2/20 0.38
PLK3 Q9H4B4 1/20 0.37
FASN P49327 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL6835815 0.95 ALB (0.61) ALBNPC1RAB9AKMT2AMEN1
SCHEMBL6924747 0.93 ALB (0.62) ALBNPC1RAB9AKMT2AMEN1
SCHEMBL6833781 0.89 ALB (0.64) ALBNPC1RAB9AKMT2AMEN1
SCHEMBL6835734 0.88 ALB (0.63) ALBNPC1RAB9AKMT2AMEN1
SCHEMBL6830262 0.84 ALB (0.59) ALBNPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL6833971 0.84 ALB (0.73) ALBKMT2AMEN1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6821748 0.84 ALB (0.70) ALBNPC1RAB9AKMT2AMEN1
SCHEMBL6830644 0.83 ALB (0.77) ALBKMT2AMEN1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL6834033 0.82 ALB (0.65) ALBNPC1RAB9AKMT2AMEN1
SCHEMBL6833946 0.82 ALB (0.76) ALBKMT2AMEN1L3MBTL1KDM4E

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 ALB 1417/4885NPC1 3778/4885RAB9A 4337/4885

“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.