SCHEMBL1101199

SCHEMBL1101199

c1ccc(COc2cccc3cccnc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.77
▸ RAB9A P51151 6/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ MAPT P10636 4/20 0.64
▸ KDM4E B2RXH2 5/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ LTA4H P09960 1/20 0.60
▸ MAPK14 Q16539 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL29360828 1.00 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4754679 0.98 NPC1 (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6026138 0.94 NPC1 (0.73) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6224038 0.91 NPC1 (0.73) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6026657 0.88 NPC1 (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6026678 0.88 RAB9A (0.69) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL24430062 0.87 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6027132 0.87 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6021122 0.87 NPC1 (1.00) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6219003 0.87 NPC1 (0.68) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185458-B Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2022-12-23 — — CN claimed
CN-113185458-A Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2021-07-30 — — CN claimed
EP-3114107-B1 PROPELLANE DERIVATES AND SYNTHESIS RECURIUM IP HOLDINGS LLC (US) 2020-07-22 — — EP claimed
EP-2084163-B1 TETRACYCLIC INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2017-04-12 — — EP claimed
EP-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 — — EP claimed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 — — WO claimed
EP-2456783-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ETHINYLPHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2015-08-19 — — EP claimed
EP-2649102-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP Bridgestone Corporation (JP) 2013-10-16 — — EP claimed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 — — EP claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
WO-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 — — WO claimed
EP-1075483-B1 HYGROMYCIN A DERIVATIVES PFIZER PROD INC (US) 2003-12-03 — — EP claimed
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 — — US claimed
EP-1077984-B1 2\"-DEOXY HYGROMYCIN DERIVATIVES PFIZER PROD INC (US) 2003-06-18 — — EP claimed
US-6342497-B1 2″-deoxy hygromycin derivatives PFIZER INC 2002-01-29 — — US claimed
US-6313100-B1 ANTIBACTERIAL, ANTIPROTOZOA AGENTS PFIZER INC 2001-11-06 — — US claimed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 — — US claimed
EP-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 — — EP claimed
US-5482938-A Azabicyclo and azacyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1996-01-09 — — US claimed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 — — US claimed

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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM NPC1 1291/4885RAB9A 1542/4885MEN1 4064/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM NPC1 1291/4885RAB9A 1542/4885MEN1 4064/4885

“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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