SCHEMBL1714720

SCHEMBL1714720

CC(CCl)COc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
MMP2 P08253 3/20 0.49
MMP3 P08254 1/20 0.49
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
CYP2A6 P11509 1/20 0.38
AGER Q15109 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18979622 0.84 MMP2 (0.50) ALDH1A1HPGDMMP2MMP3MAOB
SCHEMBL12461736 0.82 MMP2 (0.49) ALDH1A1HPGDMMP2MMP3MAOB
SCHEMBL28239561 0.82 MMP2 (0.49) ALDH1A1HPGDMMP2MMP3MAOB
SCHEMBL868642 0.81 MMP2 (0.54) ALDH1A1HPGDMMP2MMP3MAOB
SCHEMBL24450219 0.81 ALDH1A1 (0.50) ALDH1A1HPGDMMP2MMP3MAOB
SCHEMBL8436281 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMMP2MMP3MAOB
SCHEMBL5663771 0.79 SIGMAR1 (0.53) ALDH1A1MAOBRAB9AMAPK1
SCHEMBL5661525 0.79 SIGMAR1 (0.53) ALDH1A1MAOBRAB9AMAPK1
SCHEMBL21386579 0.79 MMP2 (0.57) ALDH1A1HPGDMMP2MMP3HRH3
SCHEMBL9146899 0.79 MMP2 (0.57) ALDH1A1HPGDMMP2MMP3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
CN-100579957-C Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-01-13 CN disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA ALDH1A1 2071/4885HPGD 4285/4885MMP2 2613/4885

“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.