SCHEMBL3108471

SCHEMBL3108471

Cc1cccc(Cc2nc(CNC3CCCCC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
NMT1 P30419 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
PTGS2 P35354 3/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL13100415 0.91 CA1 (0.38) NMT1KDM4EPKMPTGS2CA1
SCHEMBL13100427 0.91 CA1 (0.38) NMT1KDM4EPKMPTGS2CA1
SCHEMBL3261038 0.89 NPC1 (0.38) LMNAPTGS2HTR2CSLC6A4CA1
SCHEMBL13099892 0.84 PTGS2 (0.35) LMNAPTGS2CA1CA2CA9
SCHEMBL3110773 0.83 PTGS2 (0.38) PTGS2CA1CA2CA9
SCHEMBL3096174 0.83 PTGS2 (0.38) PTGS2CA1CA2CA9
SCHEMBL13099730 0.83 ALDH1A1 (0.35) LMNAKDM4EACHEBACE1PTGS2
SCHEMBL3109090 0.82 PTGS2 (0.34) LMNAKDM4EPTGS2CA1CA2
SCHEMBL3112939 0.81 PTGS2 (0.39) LMNAKDM4EPTGS2CA1CA2
SCHEMBL13100336 0.81 SCN8A (0.35) KDM4EPTGS2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 LMNA 3933/4885NMT1 891/4885KDM4E 2901/4885

“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.