SCHEMBL1307641

SCHEMBL1307641

O=C(Nc1cc(Cl)ccc1C(=O)O)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.71
GRIK1 P39086 6/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
APOBEC3A P31941 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
MAPK1 P28482 1/20 0.54

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
SCHEMBL1306771 0.89 KCNMA1 (0.67) KCNMA1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL29684074 0.85 TSHR (0.70) KCNMA1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL1307665 0.83 NPC1 (0.58) KCNMA1GRIK1MEN1KMT2ANPC1
SCHEMBL2269832 0.82 HDAC3 (0.74) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL1520408 0.82 KCNMA1 (0.72) KCNMA1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL38652227 0.81 RAB9A (0.74) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL13701150 0.81 RAB9A (0.74) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL29684397 0.80 KCNMA1 (0.70) KCNMA1GRIK1MEN1KMT2AAPOBEC3A
SCHEMBL3965184 0.80 GRIK1 (1.00) GRIK1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2276277 0.79 NPC1 (0.54) MEN1KMT2AKDM4ENPC1RAB9A

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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US disclosed
WO-2004022525-A1 AMIDE DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH A/S (DK) 2004-03-18 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 KCNMA1 807/4885GRIK1 2986/4885MEN1 2312/4885

“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.