SCHEMBL1767627

SCHEMBL1767627

O=C(NCc1ccccn1)c1ccnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.56
▸ RORC P51449 1/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ SORT1 Q99523 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KDM1A O60341 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL17263322 0.91 SCD (0.58) SCDKDM4EMAPTGFERTDP1
SCHEMBL12648807 0.91 SCD (0.68) SCDHDAC1KDM4EMAPTGFER
Hydrochloric Acid SCHEMBL1568728 0.90 SCD (0.67) SCDHDAC1KDM4EMAPTGFER
SCHEMBL1767547 0.89 SCD (0.54) SCDKDM4EMAPTGFERTDP1
SCHEMBL1767507 0.87 SCD (0.57) SCDKDM4EMAPTGFERTDP1
SCHEMBL1767455 0.87 HDAC1 (0.52) SCDHDAC1MAPTL3MBTL1LMNA
SCHEMBL1767552 0.86 HDAC1 (0.48) SCDRORCHDAC1KDM1A
SCHEMBL1767456 0.86 HDAC1 (0.49) SCDHDAC1KMT2AKDM1A
SCHEMBL1767557 0.85 SCD (0.58) SCDHDAC1KDM4EMAPTGFER
SCHEMBL1767464 0.85 HDAC1 (0.49) SCDRORCHDAC1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US claimed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US claimed
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN claimed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — CN claimed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US claimed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 — — CN disclosed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 — — CN disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — 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 (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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885RORC 401/4885HDAC1 136/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885RORC 401/4885HDAC1 136/4885

“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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