SCHEMBL1694894

SCHEMBL1694894

COc1ccc(C(=O)Cc2ccc(N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.63
▸ NPC1 O15118 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ KMT2A Q03164 1/20 0.57
▸ HDAC3 O15379 2/20 0.54
▸ HDAC4 P56524 2/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC8 Q9BY41 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL457954 0.91 NPC1 (0.73) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL1879336 0.86 NPC1 (0.55) HTTNPC1LMNAKMT2ATDP1
SCHEMBL28168020 0.85 AGTR1 (0.60) NPC1LMNAKMT2AALDH1A1MAPT
SCHEMBL6225326 0.85 NPC1 (0.65) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL3099733 0.85 NPC1 (0.65) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL1420182 0.85 NPC1 (0.65) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL12637609 0.85 NPC1 (0.65) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL3097303 0.85 NPC1 (0.65) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL17112793 0.84 NPC1 (0.63) HTTNPC1LMNAKMT2AHDAC3
SCHEMBL3099798 0.83 NPC1 (0.63) HTTNPC1LMNAKMT2AHDAC3

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 9 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

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 HTT 1165/4885NPC1 2033/4885LMNA 1228/4885

“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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