Sugi Predict

Sugi Predict / Compounds / SCHEMBL378541

SCHEMBL378541

SCHEMBL378541

O=Cc1ccc(Cc2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.38
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 7/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH5A1 P51649 1/20 0.33
▸ ABAT P80404 1/20 0.33
▸ KCNJ1 P48048 3/20 0.33
▸ ALDH3A1 P30838 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DAO P14920 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ CYP2A13 Q16696 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11534430 0.87 DAO (0.33) RAB9ADAO
SCHEMBL5322856 0.82 MAOA (0.38) RAB9AALDH1A1KCNJ1DAO
SCHEMBL9447366 0.79 POLB (0.40) CYP2A6RAB9AALDH1A1DAOKMT2A
SCHEMBL378377 0.78 MAP2K4 (0.34) —
SCHEMBL15874962 0.78 HRH3 (0.41) CYP2A6RAB9AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL837414 0.78 ALPL (0.39) ALDH1A1LMNAMAPTHPGDDAO
SCHEMBL13946889 0.78 TP53 (0.41) CYP2A6RAB9AALDH1A1SMN1; SMN2
SCHEMBL6505678 0.78 NR1H2 (0.41) ALDH1A1LMNAMAPTKDM4EDAO
SCHEMBL4573094 0.78 CYP3A4 (0.48) RAB9AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19580445 0.78 AKT2 (0.39) CYP2A6ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 — — EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 — — US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 — — US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 — — US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 — — US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 — — US disclosed
CN-105859639-A NOVEL ANTI-INFLAMMATORY AGENTS 雷斯韦洛吉克斯公司 2016-08-17 — — CN disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 — — US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 — — US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 — — WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 — — US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 — — EP disclosed
CN-102427813-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-04-25 — — CN disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 — — US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 — — EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 — — WO disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 — — 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 (8 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CYP2A6 480/4885RAB9A 3302/4885ALDH1A1 587/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 434/4885RAB9A 3059/4885ALDH1A1 650/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CYP2A6 4600/4885RAB9A 2751/4885ALDH1A1 3920/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CYP2A6 480/4885RAB9A 3302/4885ALDH1A1 587/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 480/4885RAB9A 3302/4885ALDH1A1 587/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 CYP2A6 480/4885RAB9A 3302/4885ALDH1A1 587/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 434/4885RAB9A 3059/4885ALDH1A1 650/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP2A6 434/4885RAB9A 3059/4885ALDH1A1 650/4885

“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.