Sugi Predict

Sugi Predict / Compounds / SCHEMBL1230760

SCHEMBL1230760

SCHEMBL1230760

O=C(N[CH]c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.66
▸ RAB9A P51151 5/20 0.66
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL10900679 0.88 RAB9A (0.53) NPC1RAB9AHDAC1HDAC3CA12
SCHEMBL11481574 0.88 HDAC1 (0.70) NPC1RAB9AHDAC1HDAC3CA12
SCHEMBL11487967 0.83 CYP1B1 (0.67) NPC1RAB9AHDAC1HDAC3HDAC7
SCHEMBL11474028 0.82 CYP1B1 (0.66) NPC1RAB9AHDAC1HDAC3HDAC7
SCHEMBL11472929 0.82 HDAC1 (0.62) NPC1RAB9AHDAC1HDAC6MAPT
SCHEMBL5246546 0.80 HDAC8 (0.65) NPC1RAB9AHDAC8MAPTLMNA
SCHEMBL3826924 0.79 NPC1 (0.45) NPC1RAB9AHDAC1HDAC3HDAC7
SCHEMBL7390245 0.79 NPC1 (1.00) NPC1RAB9AHDAC1HDAC3CA12
SCHEMBL3639135 0.79 NPC1 (1.00) NPC1RAB9AHDAC1HDAC3CA12
SCHEMBL15079020 0.79 NPC1 (1.00) NPC1RAB9AHDAC1HDAC3CA12

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149885-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-07-23 — — CN claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 — — US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 — — EP claimed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 — — WO claimed
US-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-11-04 — — US disclosed
CN-113149885-A EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-07-23 — — CN disclosed
CN-107848964-B EBNA1 inhibitors and methods of using the same 威斯塔解剖学和生物学研究所 2021-03-19 — — CN disclosed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 — — EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 — — US disclosed
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2014-08-28 — — US disclosed
US-6753346-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS JAPAN TOBACCO INC. (JP) 2004-06-22 — — US disclosed
US-6426365-B1 Anticholesterol agents; Cholesterol ester transfer protein (CETP); including dalcetrapib, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino) phenyl) 2-methylpropanethioate JAPAN TOBACCO INC. (JP) 2002-07-30 — — US disclosed
EP-1020439-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2000-07-19 — — EP disclosed
US-6060603-A TO MODEL BIOLOGICALLY ACTIVE LIGANDS HAVING ACTIVE SITE(S) WHICH EMPLOY CHARGE-TRANSFER INTERACTIONS TO A MEANINGFUL CONFORMATION PEPMETICS, INC. (CA) 2000-05-09 — — US disclosed
CN-1252053-A Cetp activity inhibitors JAPAN TOBACCO INC (JP) 2000-05-03 — — CN disclosed
EP-0557276-A1 METHODS FOR MODELLING TERTIARY STRUCTURES OF BIOLOGICALLY ACTIVE LIGANDS INCLUDING AGONISTS AND ANTAGONISTS THERETO AND NOVEL SYNTHETIC ANTAGONISTS BASED ON ANGIOTENSIN UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (UTI) (CA) 1993-09-01 — — EP disclosed
WO-1991010140-A2 METHODS FOR MODELLING TERTIARY STRUCTURES OF BIOLOGICALLY ACTIVE LIGANDS INCLUDING AGONISTS AND ANTAGONISTS THERETO AND NOVEL SYNTHETIC ANTAGONISTS BASED ON ANGIOTENSIN UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 1991-07-11 — — 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 (3 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-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION ACE, ACE2, REN NPC1 366/4885RAB9A 945/4885HDAC1 118/4885
US-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC NPC1 1174/4885RAB9A 1480/4885HDAC1 275/4885
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1L1, LCAT NPC1 5/4885RAB9A 4372/4885HDAC1 1220/4885

“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.