SCHEMBL4487134

SCHEMBL4487134

CN(CCc1ccncc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MLYCD O95822 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPY5R Q15761 1/20 0.40
FFAR1 O14842 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ROCK2 O75116 1/20 0.39

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
Oxalic Acid SCHEMBL11178022 0.88 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4387675 0.85 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7973810 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7973811 0.84 LOXL2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4874212 0.84 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1520363 0.82 KMT2A (0.59) KMT2AMLYCDNPC1RAB9ANPY5R
SCHEMBL19210473 0.82 MMP13 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14524621 0.82 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12155784 0.81 CYP3A4 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12155870 0.81 TSHR (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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 (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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R CYP1A2 78/4885CYP3A4 185/4885CYP2D6 59/4885

“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.