SCHEMBL6715648

SCHEMBL6715648

NC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP1A2 P05177 1/20 0.67
POLB P06746 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
MAPT P10636 6/20 0.62
HTT P42858 2/20 0.62
RAB9A P51151 1/20 0.62
TACR1 P25103 1/20 0.58
LMNA P02545 4/20 0.57
S1PR3 Q99500 2/20 0.57
HTR1E P28566 1/20 0.57
TP53 P04637 1/20 0.56
XBP1 P17861 1/20 0.56
KDM4E B2RXH2 2/20 0.56
PCTP Q9UKL6 1/20 0.56
GRIK1 P39086 1/20 0.55

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
SCHEMBL6715643 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL29521694 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6726787 0.84 RAB9A (0.58) SMN1; SMN2MEN1KMT2APOLBMAPT
SCHEMBL9871765 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL967252 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL963072 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2842740 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6719100 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL21880131 0.80 MEN1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL21880132 0.80 MEN1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2

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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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 (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-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 ALDH1A1 575/4885SMN1; SMN2 2115/4885MEN1 2822/4885

“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.