SCHEMBL1694255

SCHEMBL1694255

O=C1CCOc2c1ccc(Cl)c2Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
NOTUM Q6P988 1/20 0.38
GRM5 P41594 11/20 0.36
AHR P35869 1/20 0.35
MAPT P10636 2/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CES1 P23141 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL16404615 0.82 MAOB (0.40) MAOBMAOAGRM5MAPTLTB4R
SCHEMBL20554838 0.82 MAOB (0.47) MAOBMAOAGRM5MAPTLTB4R
SCHEMBL25165937 0.82 MAOB (0.40) MAOBMAOAGRM5MAPTLTB4R
SCHEMBL12316648 0.82 MAPT (0.45) MAOBMAOAGRM5MAPTLTB4R
SCHEMBL10158593 0.78 LMNA (0.52) MAOBMAOAMAPTLTB4RLTB4R2
SCHEMBL13506226 0.78 MAOB (0.37) MAOBMAOANOTUMGRM5LTB4R
SCHEMBL768960 0.78 MAPT (0.46) MAOBMAOANOTUMGRM5MAPT
SCHEMBL23976532 0.75 MAOB (0.37) MAOBMAOAGRM5MAPTLTB4R
SCHEMBL12316734 0.73 GRM5 (0.37) MAOBMAOAGRM5MAPTLMNA
SCHEMBL15144006 0.73 MAOB (0.33) MAOBMAOAMAPTLTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
EP-2585453-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION President and Fellows of Harvard College (US) 2013-05-01 EP disclosed
US-20130029978-A1 NOVEL ARYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. 2013-01-31 US disclosed
US-20130029978-A1 NOVEL ARYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. 2013-01-31 US disclosed
US-20130029978-A1 NOVEL ARYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. 2013-01-31 US disclosed
EP-2518064-A1 NOVEL ARYL UREA DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 WO 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-20130029978-A1 NOVEL ARYL UREA DERIVATIVE FAAH, FAAH2, NAT1 MAOB 226/4885MAOA 298/4885NOTUM 1368/4885
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 MAOB 3453/4885MAOA 4134/4885NOTUM 2561/4885

“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.