SCHEMBL1695315

SCHEMBL1695315

O=C1CCCc2c1ccc(Cl)c2Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.43
▸ MAOB P27338 3/20 0.43
▸ PRKCI P41743 1/20 0.43
▸ CYP2A6 P11509 1/20 0.39
▸ NOTUM Q6P988 3/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ PNMT P11086 2/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL31170780 1.00 MAOA (0.43) MAOAMAOBPRKCICYP2A6NOTUM
SCHEMBL5846723 0.96 PARP1 (0.39) MAOAMAOBPRKCICYP2A6NOTUM
SCHEMBL8557216 0.88 NOTUM (0.44) MAOAMAOBPRKCINOTUMPNMT
SCHEMBL13093582 0.82 MAOA (0.42) MAOAMAOBPRKCICYP2A6BRD4
SCHEMBL24542979 0.81 NOTUM (0.41) MAOAMAOBPRKCICYP2A6NOTUM
SCHEMBL22253606 0.81 MAOA (0.41) MAOAMAOBPRKCICYP2A6BRD4
SCHEMBL31620328 0.81 MAOA (0.41) MAOAMAOBPRKCICYP2A6BRD4
SCHEMBL10753610 0.81 MEN1 (0.46) MAOAMAOBPRKCICYP2A6BRD4
SCHEMBL31156850 0.81 MAOA (0.49) MAOAMAOBPRKCICYP2A6BRD4
SCHEMBL29673139 0.81 NOTUM (0.41) MAOAMAOBPRKCICYP2A6NOTUM

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 12 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
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
EP-0975583-B1 AROMATIC AMIDES, THEIR PREPARATION PROCESS AND THEIR USE AS PESTICIDES MERIAL LTD (US) 2010-10-20 — — EP disclosed
US-4537720-A N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process ELI LILLY AND COMPANY (US) 1985-08-27 — — US disclosed
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 — — 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 MAOA 4134/4885MAOB 3453/4885PRKCI 820/4885

“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.

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