SCHEMBL1637543

SCHEMBL1637543

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PAX8 Q06710 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HCAR2 Q8TDS4 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
F10 P00742 1/20 0.42
ACP3 P15309 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL1638779 0.88 MEN1 (0.55) ATMMAPTALDH1A1KDM4EGAA
SCHEMBL2983990 0.87 AKR1C3 (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL13240831 0.87 AKR1C3 (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL2482531 0.86 AKR1C3 (0.43) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL1638751 0.84 ATM (0.43) ATMMAPTALDH1A1GAAPOLB
SCHEMBL1639002 0.82 ATM (0.44) ATMMAPTALDH1A1NPC1RAB9A
SCHEMBL2485730 0.80 ALDH1A1 (0.57) ATMMAPTALDH1A1KDM4EGAA
SCHEMBL9298424 0.80 ALDH1A1 (0.57) ATMMAPTALDH1A1KDM4EGAA
SCHEMBL13240792 0.79 KDM4E (0.56) ATMMAPTALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL2483358 0.79 ALDH1A1 (0.57) ATMMAPTALDH1A1KDM4EGAA

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 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
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 2695/4885MAPT 3189/4885ALDH1A1 677/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT ATM 2695/4885MAPT 3189/4885ALDH1A1 677/4885

“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.