SCHEMBL1639002

SCHEMBL1639002

COc1ccc(C(Nc2ccccc2C(=O)CC(F)(F)F)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
PPARG P37231 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CNR2 P34972 2/20 0.40
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B2 P37059 1/20 0.39
KEAP1 Q14145 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1637543 0.82 ATM (0.47) ATMPPARGL3MBTL1KMT2ANPC1
SCHEMBL1638779 0.81 MEN1 (0.55) ATMKMT2ANPC1MEN1HCAR2
SCHEMBL1638751 0.77 ATM (0.43) ATMPPARGKMT2ANPC1MEN1
SCHEMBL12725520 0.76 MEN1 (0.49) L3MBTL1KMT2ANPC1MEN1TP53
SCHEMBL9298424 0.73 ALDH1A1 (0.57) ATML3MBTL1KMT2ANPC1MEN1
SCHEMBL2485730 0.73 ALDH1A1 (0.57) ATML3MBTL1KMT2ANPC1MEN1
SCHEMBL13240792 0.72 KDM4E (0.56) ATML3MBTL1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL2483358 0.72 ALDH1A1 (0.57) ATML3MBTL1KMT2ANPC1MEN1
SCHEMBL1638622 0.72 MEN1 (0.46) L3MBTL1KMT2AMEN1CNR2NPSR1
SCHEMBL7575664 0.70 ALDH1A1 (0.61) ATMKMT2ANPC1MEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US claimed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 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 (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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT ATM 2695/4885PPARG 1811/4885L3MBTL1 3907/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT ATM 2695/4885PPARG 1811/4885L3MBTL1 3907/4885

“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.