SCHEMBL16615798

SCHEMBL16615798

Cc1ncc(CNC(=O)c2ccc(CNC(=O)c3cccc(F)c3)cn2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
RET P07949 1/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
SCD O00767 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
GRIN2B Q13224 1/20 0.43
MMP13 P45452 1/20 0.43
ROCK2 O75116 3/20 0.43
KLKB1 P03952 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL16615929 0.91 GRIN2A (0.49) MEN1KMT2AGRIN1GRIN2ARET
SCHEMBL16615939 0.87 GRIN2A (0.58) HPGDTSHRMEN1ALDH1A1KMT2A
SCHEMBL16615837 0.85 VNN1 (0.48) ALDH1A1GRIN1GRIN2AGAAROCK2
SCHEMBL16615844 0.84 EPHX2 (0.51) HPGDKMT2AGRIN1GRIN2ALMNA
SCHEMBL16713125 0.81 GRIN2A (0.42) GRIN1GRIN2ARETTP53SCD
SCHEMBL16615789 0.80 GRIN2A (0.53) HPGDALDH1A1GRIN1GRIN2ATP53
SCHEMBL16615793 0.79 GRIN2A (0.45) HPGDALDH1A1GRIN1GRIN2ALMNA
SCHEMBL16598144 0.78 GRIN2A (0.60) ALDH1A1GRIN1GRIN2AMAPTSCD
SCHEMBL16598092 0.77 GRIN2A (0.61) MEN1ALDH1A1KMT2AGRIN1GRIN2A
SCHEMBL16615794 0.77 GRIN2A (0.49) HPGDALDH1A1KMT2AGRIN1GRIN2A

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-9963434-B2 N-arylmethyl sulfonamide negative modulators of NR2A LUC THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963434-B2 N-arylmethyl sulfonamide negative modulators of NR2A LUC THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. 2015-05-21 US disclosed
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. 2015-05-21 US disclosed
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 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-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 HPGD 3080/4885TSHR 925/4885MEN1 4614/4885
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 HPGD 3080/4885TSHR 925/4885MEN1 4614/4885

“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.