SCHEMBL3306701

SCHEMBL3306701

COc1ccc(CN[C]=O)cc1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
DBH P09172 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3310616 0.87 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL1486249 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ELMNASMN1; SMN2MAPK10
SCHEMBL5541184 0.81 GAA (0.50) MAOBKDM1AMAOAALDH1A1LMNA
SCHEMBL3307752 0.81 TRPV1 (0.57) ALDH1A1KDM4ELMNARAB9A
SCHEMBL23046575 0.80 KDM1A (0.52) MAOBKDM1AMAOADBHALDH1A1
SCHEMBL296365 0.80 HTR7 (0.58) MAOBKDM1AMAOADBH
SCHEMBL3304764 0.79 KDM1A (0.41) MAOBKDM1AMAOAALDH1A1HTT
SCHEMBL3306706 0.79 KDM1A (0.49) MAOBKDM1AMAOADBHALDH1A1
SCHEMBL12890690 0.78 DBH (0.51) MAOBKDM1AMAOADBHALDH1A1
SCHEMBL5546558 0.77 ALDH1A1 (0.41) ALDH1A1HTTKDM4ELMNASMN1; SMN2

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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 MAOB 1216/4885KDM1A 512/4885MAOA 1449/4885

“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.