SCHEMBL4064596

SCHEMBL4064596

COc1ccc2ccc(NC(=O)O)c(I)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
MTNR1A P48039 1/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AHR P35869 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 4/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5752975 0.90 KDM4E (0.46) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL13783464 0.82 NR1I2 (0.42) F10MTNR1ANPC1LMNARAB9A
SCHEMBL5350347 0.80 F10 (0.53) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL4057189 0.78 KDM4E (0.49) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6086928 0.76 ALDH1A1 (0.50) MTNR1ALMNASMN1; SMN2KMT2AMEN1
SCHEMBL6117229 0.76 RAB9A (0.61) F10NPC1RAB9AKMT2AMEN1
SCHEMBL17796966 0.74 POLB (0.62) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5833241 0.74 ALDH1A1 (0.73) NPC1LMNARAB9ASMN1; SMN2AHR
SCHEMBL978331 0.73 GAA (0.49) F10NPC1LMNARAB9ASMN1; SMN2
SCHEMBL2095013 0.73 RAB9A (0.58) F10NPC1RAB9ASMN1; SMN2KMT2A

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-20090182001-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
EP-1910365-A4 INHIBITORS OF CHECKPOINT KINASES MERCK & CO INC (US) 2009-07-15 EP disclosed
EP-1910365-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007015837-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-02-08 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-20090182001-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, BUB1B F10 4555/4885MTNR1A 4579/4885NPC1 3878/4885

“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.