SCHEMBL2445402

SCHEMBL2445402

O=[N+]([O-])c1ccc(N2CCn3c(nnc3C(O)c3ccccc3)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
PANK3 Q9H999 1/20 0.42
MAPK1 P28482 4/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CRBN Q96SW2 2/20 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
SCHEMBL2443973 0.82 GRIN2D (0.45) ALDH1A1LMNANPSR1KDM4EHTR1A
SCHEMBL2448659 0.73 KMT2A (0.49) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL2391733 0.71 MAPT (0.46) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22465858 0.70 KMT2A (1.00) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL22495425 0.70 KMT2A (0.74) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL12218463 0.67 MEN1 (0.64) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1725143 0.67 MAPT (0.68) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL1725148 0.67 MAPT (0.68) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL12300992 0.66 KDM4E (0.33) ALDH1A1LMNAKDM4E
SCHEMBL2393208 0.66 MAPT (0.68) MEN1KMT2AATMMAPTALDH1A1

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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MEN1 4443/4885KMT2A 645/4885ATM 2051/4885

“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.