SCHEMBL9607729

SCHEMBL9607729

CC(C)(C)c1nc(Cl)c(OCc2ccccc2)c(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PIN1 Q13526 2/20 0.40
FEN1 P39748 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
STAT3 P40763 1/20 0.39
ALOX5 P09917 1/20 0.39
GLRA1 P23415 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9607733 0.84 CNR2 (0.43) POLBL3MBTL1TSHRMAPTTDP1
SCHEMBL9607720 0.82 LMNA (0.43) POLBL3MBTL1FEN1TSHRMAPT
SCHEMBL10763451 0.81 MAPT (0.42) L3MBTL1PIN1MAPTMAPK1TDP1
SCHEMBL1233184 0.77 TSHR (0.45) POLBL3MBTL1PIN1FEN1TSHR
SCHEMBL25465503 0.72 ALKBH1 (0.43) L3MBTL1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL501598 0.71 PIN1 (0.45) L3MBTL1PIN1TSHRMAPK1HTT
SCHEMBL22293329 0.70 POLB (0.45) POLBL3MBTL1TSHRMAPTMAPK1
SCHEMBL26731731 0.70 L3MBTL1 (0.49) POLBL3MBTL1TSHRMAPTMAPK1
SCHEMBL14112773 0.69 MAPT (0.46) POLBL3MBTL1TSHRMAPTMAPK1
SCHEMBL17597879 0.69 POLB (0.45) POLBPIN1FEN1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 POLB 2106/4885L3MBTL1 4611/4885PIN1 1133/4885

“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.