SCHEMBL3063940

SCHEMBL3063940

CCOc1cc(Br)c(Br)c(/C(=N\N)c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 5/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ POLB P06746 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GBA1 P04062 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL3063944 1.00 MAPT (0.47) MAPTLMNAHTTKMT2AMEN1
SCHEMBL3063942 0.81 MAPT (0.59) MAPTLMNAHTTKMT2AMEN1
SCHEMBL14291439 0.81 MAPT (0.59) MAPTLMNAHTTKMT2AMEN1
SCHEMBL14291437 0.72 MAPT (0.58) MAPTLMNAHTTKMT2AMEN1
SCHEMBL13091221 0.69 MAPT (0.60) MAPTLMNAHTTKMT2AMEN1
SCHEMBL13942702 0.68 MAPT (0.54) MAPTLMNAHTTKMT2AMEN1
SCHEMBL11059702 0.68 LMNA (0.75) MAPTLMNAHTTKMT2AMEN1
SCHEMBL11810697 0.67 LMNA (1.00) MAPTLMNAHTTKMT2AMEN1
SCHEMBL29345146 0.67 LMNA (0.94) MAPTLMNAHTTKMT2AMEN1
SCHEMBL14128251 0.65 LMNA (0.83) MAPTLMNAHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 — — EP disclosed
US-8618110-B2 Compositions and methods for apoptosis modulators VM DISCOVERY INC. (US) 2013-12-31 — — US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 — — US disclosed
WO-2008021250-A2 COMPOSITIONS AND METHODS FOR MODULATING APOPTOSIS IN CELLS OVER-EXPRESSING BCL-2 FAMILY MEMBER PROTEINS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2008-02-21 — — 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD MAPT 2663/4885LMNA 125/4885HTT 1354/4885

“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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