SCHEMBL609545

SCHEMBL609545

CCc1cc(N)n2ncnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MBOAT4 Q96T53 3/20 0.39
ATM Q13315 1/20 0.39
ENPP1 P22413 3/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15063412 0.82 GAA (0.47) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL7433052 0.79 KDM1A (0.44) KDM1AALDH1A1MAPK1LMNACYP1A2
SCHEMBL5983773 0.79 KDM1A (0.44) KDM1AALDH1A1MAPK1LMNACYP1A2
SCHEMBL609785 0.77 ALDH1A1 (0.67) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL5096009 0.76 EGLN2 (0.50) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL4241122 0.75 MEN1 (0.36) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL3230229 0.74 HPGD (0.45) ALDH1A1MAPK1LMNACYP1A2NPSR1
SCHEMBL30419680 0.74 UBE2M (0.49) KDM1AALDH1A1MAPK1LMNACYP1A2
SCHEMBL4263342 0.73 KDM4E (0.46) KDM1AALDH1A1MAPK1LMNACYP1A2
SCHEMBL10887539 0.73 ALDH1A1 (0.43) ALDH1A1MAPK1LMNACYP1A2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113266-A1 TREATING COGNITIVE DISORDERS USING TRAPIDIL SINOPIA BIOSCIENCES, INC. (US) 2021-06-10 WO disclosed
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP disclosed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP disclosed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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 (2 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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT KDM1A 1397/4885ALDH1A1 220/4885MAPK1 1247/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT KDM1A 1397/4885ALDH1A1 220/4885MAPK1 1247/4885

“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.