SCHEMBL5110282

SCHEMBL5110282

CN(Cc1ccc(C#N)cc1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.45
P2RX7 Q99572 3/20 0.44
NSD2 O96028 1/20 0.41
CYP19A1 P11511 1/20 0.41
POLB P06746 2/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EPHX2 P34913 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
FFAR1 O14842 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 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
SCHEMBL534824 0.83 NPSR1 (0.60) HTTNPSR1ALDH1A1P2RX7CYP19A1
SCHEMBL5114431 0.82 FFAR1 (0.48) ALDH1A1NSD2CYP19A1FFAR1
SCHEMBL5912934 0.81 HTT (0.45) HTTNPSR1ALDH1A1P2RX7CYP19A1
SCHEMBL31107315 0.80 PYCR1 (0.51) HTTNPSR1ALDH1A1TMEM97SIGMAR1
SCHEMBL5779411 0.79 NSD2 (0.41) HTTNPSR1NSD2POLBTMEM97
SCHEMBL28546904 0.77 EPHX2 (0.44) ALDH1A1EPHX2TSHR
SCHEMBL30349567 0.76 ALDH1A1 (0.50) HTTNPSR1ALDH1A1P2RX7MRGPRX4
SCHEMBL14660970 0.76 ALDH1A1 (0.50) HTTNPSR1ALDH1A1P2RX7MRGPRX4
SCHEMBL5118098 0.76 NSD2 (0.63) HTTNSD2POLBTMEM97SIGMAR1
SCHEMBL14107962 0.76 CYP2A6 (0.47) HTTNPSR1ALDH1A1P2RX7POLB

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-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 HTT 2903/4885NPSR1 659/4885ALDH1A1 73/4885

“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.