SCHEMBL2145287

SCHEMBL2145287

CCOC(=O)c1oc(Nc2ccccc2F)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 3/20 0.41
C1R P00736 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 2/20 0.40
SIRT5 Q9NXA8 1/20 0.40
P2RY1 P47900 1/20 0.39
SLC26A6 Q9BXS9 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL9750596 0.90 SLC26A6 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13366298 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9750580 0.86 P2RY12 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9750741 0.85 MAPT (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2145621 0.82 NPC1 (0.50) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9750654 0.82 KDM4E (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10480148 0.81 KDM4E (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2145615 0.79 HTT (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9751045 0.79 MAPT (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL12680960 0.78 P2RY1 (0.68) P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
EP-2346853-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-07-27 EP disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT ALDH1A1 912/4885SMN1; SMN2 4657/4885NPC1 239/4885

“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.