SCHEMBL6202857

SCHEMBL6202857

CN(CCOc1ccccc1)c1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ CHRNB2 P17787 3/20 0.53
▸ CHRNA4 P43681 3/20 0.53
▸ GBA1 P04062 7/20 0.50
▸ LTA4H P09960 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL5247888 0.74 POLB (0.53) POLBCHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL20710471 0.73 GBA1 (0.65) CHRNB2CHRNA4GBA1ALDH1A1
SCHEMBL20710506 0.73 GBA1 (0.65) CHRNB2CHRNA4GBA1ALDH1A1KMT2A
SCHEMBL11677652 0.73 LTA4H (0.59) GBA1LTA4HALDH1A1LMNAHTT
SCHEMBL7920967 0.73 KMT2A (0.60) GBA1KDM4EALDH1A1LMNAKMT2A
SCHEMBL4314472 0.73 GBA1 (0.59) CHRNB2CHRNA4GBA1LTA4HALDH1A1
SCHEMBL20710518 0.72 GBA1 (0.62) CHRNB2CHRNA4GBA1ALDH1A1
SCHEMBL3081378 0.72 POLB (0.68) POLBCHRNB2CHRNA4KDM4ELMNA
SCHEMBL7992246 0.72 POLB (1.00) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL3117237 0.72 KMT2A (0.59) KDM4EALDH1A1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 — — EP 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 POLB 1009/4885CHRNB2 4426/4885CHRNA4 4708/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 POLB 1009/4885CHRNB2 4426/4885CHRNA4 4708/4885

“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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