SCHEMBL6835786

SCHEMBL6835786

COc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL6818958 0.85 ALDH1A1 (0.53) LMNARECQLCA12CA1CA2
SCHEMBL6924687 0.80 GALK1 (0.57) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL6814022 0.79 TP53 (0.53) CA12CA1CA2CA3CA6
SCHEMBL6839243 0.78 NPC1 (0.74) LMNARECQLNPC1RAB9AKMT2A
SCHEMBL6833294 0.76 RAB9A (0.66) LMNARECQLNPC1RAB9AKMT2A
SCHEMBL6817690 0.74 HSD17B10 (0.62) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6357140 0.74 MEN1 (0.60) CA2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6355599 0.74 LMNA (0.56) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6280292 0.74 NPC1 (0.65) LMNARECQLNPC1RAB9AKMT2A
SCHEMBL6349877 0.74 CHEK1 (0.66) CA12CA1CA2CA7NPC1

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 LMNA 3376/4885RECQL 2569/4885CA12 3776/4885

“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.