SCHEMBL6764310

SCHEMBL6764310

C[S+]([O-])c1ccc(CN2Cc3ccc(C(=O)O)cc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 2/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM1A O60341 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACACB O00763 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER2 P43116 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38

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
Hydrochloric Acid SCHEMBL8532297 0.82 HDAC1 (0.49) LTA4HHDAC1HDAC6OPRM1KCNH2
SCHEMBL8122252 0.81 HDAC1 (0.55) LTA4HHDAC1HDAC6OPRM1KCNH2
Hydrochloric Acid SCHEMBL7040966 0.80 HDAC1 (0.54) LTA4HHDAC1HDAC6OPRM1KCNH2
Hydrochloric Acid SCHEMBL7041877 0.80 HDAC1 (0.54) LTA4HHDAC1HDAC6OPRM1KCNH2
SCHEMBL8348431 0.79 SMN1; SMN2 (0.47) HDAC6MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6767196 0.78 MEN1 (0.46) LTA4HHDAC1HDAC6OPRM1KCNH2
SCHEMBL6816303 0.76 LMNA (0.36) HDAC1HDAC6MEN1KMT2AKDM4E
SCHEMBL20178702 0.73 NAMPT (0.52) HDAC6KDM1AKMT2ANAMPTPOLB
SCHEMBL11816169 0.72 HDAC6 (0.45) HDAC1HDAC6OPRM1KCNH2MEN1
Hydrochloric Acid SCHEMBL11828577 0.71 HDAC6 (0.44) HDAC1HDAC6OPRM1KCNH2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US claimed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US disclosed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis MMP13, MMP11, MMP9 LTA4H 1117/4885HDAC1 429/4885HDAC6 220/4885

“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.