SCHEMBL4334028

SCHEMBL4334028

CN(Cc1ccccc1)C[C@@H]1CO1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BLM P54132 1/20 0.49
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PYCR1 P32322 1/20 0.46
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
AOC3 Q16853 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL4326995 1.00 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2BLMCARM1
SCHEMBL3665986 1.00 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2BLMCARM1
SCHEMBL7572990 0.89 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2BLMCARM1
SCHEMBL5417196 0.87 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2BLMTSHR
SCHEMBL12215364 0.84 PYCR1 (0.50) ALDH1A1SMN1; SMN2MAOBPYCR1KDM4E
SCHEMBL5482881 0.82 CARM1 (0.53) ALDH1A1LMNASMN1; SMN2BLMCARM1
SCHEMBL5474230 0.82 CARM1 (0.53) ALDH1A1LMNASMN1; SMN2BLMCARM1
SCHEMBL5474228 0.82 CARM1 (0.53) ALDH1A1LMNASMN1; SMN2BLMCARM1
SCHEMBL1190859 0.82 OXTR (0.51) ALDH1A1GAA
SCHEMBL1190645 0.82 OXTR (0.51) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 ALDH1A1 557/4885LMNA 4875/4885SMN1; SMN2 4808/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF ALDH1A1 930/4885LMNA 4870/4885SMN1; SMN2 4819/4885

“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.