Sugi Predict

Sugi Predict / Compounds / SCHEMBL874091

SCHEMBL874091

SCHEMBL874091

COc1cc(N)c(C(N)=O)cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMPD1 P17405 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ NPC1 O15118 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ RXRA P19793 1/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.51
▸ SRD5A1 P18405 2/20 0.51
▸ SRD5A2 P31213 2/20 0.51
▸ CTSV O60911 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL159448 1.00 HTT (0.55) HTTLMNASMPD1HDAC1HDAC8
SCHEMBL4728946 0.90 CTSV (0.57) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL3138320 0.90 CTSV (0.57) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL340527 0.89 SMN1; SMN2 (0.52) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL4469125 0.89 SMN1; SMN2 (0.52) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL1012178 0.88 KDM4E (0.66) LMNASMPD1HDAC1HDAC8HDAC6
SCHEMBL1892032 0.88 KDM4E (0.66) LMNASMPD1HDAC1HDAC8HDAC6
SCHEMBL23459152 0.87 KDM4E (0.52) HTTSMPD1HDAC1HDAC8HDAC6
SCHEMBL2089698 0.87 KDM4E (0.52) HTTSMPD1HDAC1HDAC8HDAC6
SCHEMBL10940555 0.87 NPC1 (0.63) SMPD1HDAC1HDAC8HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677701-A Benzo heterocyclic compound and preparation method and application thereof 昆药集团股份有限公司 2023-02-03 — — CN disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 — — US disclosed
EP-1973407-A2 SPIRO COMPOUNDS AND METHODS OF USE Chen, Guoqing Paul (US) 2008-10-01 — — EP disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 — — EP disclosed
WO-2007084875-A2 SPIRO COMPOUNDS AND METHODS OF USE CHEN GUOQING PAUL (US) 2007-07-26 — — WO disclosed
US-20070167470-A1 Spiro compounds and methods of use CHEN GUOQING P 2007-07-19 — — US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 — — US disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 — — WO disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 — — 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 (7 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 HTT 2644/4885LMNA 3392/4885SMPD1 73/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 HTT 2644/4885LMNA 3392/4885SMPD1 73/4885
US-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 HTT 270/4885LMNA 3366/4885SMPD1 3995/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 HTT 2644/4885LMNA 3392/4885SMPD1 73/4885
US-20070167470-A1 Spiro compounds and methods of use TEK, KDR, EGFR HTT 3454/4885LMNA 2210/4885SMPD1 2624/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 HTT 2644/4885LMNA 3392/4885SMPD1 73/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 HTT 2644/4885LMNA 3392/4885SMPD1 73/4885

“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.