SCHEMBL7994094

SCHEMBL7994094

COc1ccc(C(Nc2ccc(Cl)cc2C(=O)CCC(C)O)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIK1 P39086 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
SMN1; SMN2 Q16637 3/20 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
SCHEMBL1638622 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL12725529 0.80 KMT2A (0.47) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7986980 0.80 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1638718 0.77 MAPT (0.43) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL1637543 0.69 ATM (0.47) MEN1KMT2AALDH1A1CNR2PKM
SCHEMBL1638779 0.68 MEN1 (0.55) MEN1KMT2AALDH1A1PKMNPSR1
SCHEMBL1638980 0.68 NOS2 (0.58) KMT2AALDH1A1CYP3A4SMN1; SMN2GFER
SCHEMBL1639002 0.68 ATM (0.44) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7573328 0.66 ALDH1A1 (0.63) MEN1KMT2AALDH1A1NPSR1L3MBTL1
SCHEMBL7576195 0.66 TDP1 (0.51) MEN1KMT2AALDH1A1NPSR1LMNA

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 4 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
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

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 MEN1 124/4885KMT2A 2793/4885ALDH1A1 677/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT MEN1 124/4885KMT2A 2793/4885ALDH1A1 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.