SCHEMBL16291386

SCHEMBL16291386

OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccncc3)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.85
▸ MEN1 O00255 8/20 0.70
▸ PAX8 Q06710 1/20 0.62
▸ HRH3 Q9Y5N1 5/20 0.56
▸ KMT2A Q03164 1/20 0.55
▸ HRH2 P25021 1/20 0.53
▸ HRH1 P35367 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
SCHEMBL16307531 0.93 KCNH2 (0.77) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL16307530 0.90 KCNH2 (0.82) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL16307534 0.89 KCNH2 (0.82) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL10460762 0.87 KCNH2 (0.86) KCNH2MEN1PAX8KMT2AHRH1
SCHEMBL16307502 0.85 KCNH2 (0.79) KCNH2MEN1PAX8KMT2A
SCHEMBL10460576 0.85 KCNH2 (0.85) KCNH2MEN1PAX8HRH3HRH1
SCHEMBL16291233 0.84 KCNH2 (0.80) KCNH2MEN1PAX8KMT2AHRH1
SCHEMBL16307892 0.84 KCNH2 (0.80) KCNH2MEN1PAX8KMT2A
SCHEMBL16307506 0.84 KCNH2 (0.80) KCNH2MEN1PAX8HRH3KMT2A
SCHEMBL16307524 0.84 KCNH2 (0.80) KCNH2MEN1PAX8HRH3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212180-B2 Menin-MLL inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-15 — — US disclosed
US-9212180-B2 Menin-MLL inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-15 — — US disclosed
US-9212180-B2 Menin-MLL inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-15 — — US disclosed
US-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-18 — — US disclosed
WO-2014200479-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-12-18 — — WO disclosed
US-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-18 — — US disclosed
US-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-18 — — 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-20140371239-A1 MENIN-MLL INHIBITORS AND METHODS OF USE THEREOF MLLT1, MEN1, BMI1 KCNH2 3751/4885MEN1 2/4885PAX8 689/4885

“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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