SCHEMBL1306771

SCHEMBL1306771

O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.67
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
SERPINE1 P05121 4/20 0.58
AKR1C4 P17516 1/20 0.58
AKR1C3 P42330 1/20 0.58

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
SCHEMBL1307641 0.89 KCNMA1 (0.71) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL6347776 0.85 AKR1C4 (0.65) KCNMA1MEN1KMT2AMAPTSERPINE1
SCHEMBL1308009 0.83 NPC1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14087683 0.82 GPR174 (0.70) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL38652227 0.81 RAB9A (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13701150 0.81 RAB9A (0.74) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL415896 0.80 SERPINE1 (0.71) SERPINE1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1520408 0.79 KCNMA1 (0.72) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL1309828 0.78 AKR1C4 (0.66) MAPTLMNASERPINE1AKR1C4AKR1C3
SCHEMBL6351321 0.78 SERPINE1 (0.89) KCNMA1MEN1KMT2AMAPTTDP1

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 3 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

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 807/4885MEN1 2312/4885KMT2A 1570/4885

“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.