SCHEMBL4067963

SCHEMBL4067963

CC(=O)OCc1c(OC(C)=O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(C)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
ALDH1A1 P00352 9/20 0.55
HTT P42858 8/20 0.55
LMNA P02545 4/20 0.47
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
CLK1 P49759 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL10191863 0.92 ALDH1A1 (0.44) MAPTALDH1A1HTTLMNAPKM
SCHEMBL5576861 0.91 ALDH1A1 (0.59) MAPTALDH1A1HTTLMNAPKM
SCHEMBL16317557 0.85 MAPT (0.37) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL4060483 0.79 ALDH1A1 (0.37) MAPTALDH1A1HTTLMNAPKM
SCHEMBL4249330 0.76 ALDH1A1 (0.46) MAPTALDH1A1HTTLMNAPKM
SCHEMBL4281505 0.71 ALDH1A1 (1.00) MAPTALDH1A1HTTLMNAPKM
SCHEMBL4070310 0.65 HTT (0.61) MAPTALDH1A1HTTLMNAPKM
SCHEMBL4062708 0.62 CLK1 (0.93) MAPTALDH1A1HTTLMNAPKM
SCHEMBL9331087 0.61 CA2 (0.44) ALDH1A1LMNAPTGS2RAB9AHPGD
4-Nitrotoluene SCHEMBL28532296 0.61 ACHE (0.56) MAPTALDH1A1HTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8883504-B2 Cell differentiation suppressing agent, method of culturing cells using the same, culture solution, and cultured cell line ASAHI KASEI KABUSHIKI KAISHA (JP) 2014-11-11 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20090155906-A1 CELL DIFFERENTIATION SUPPRESSING AGENT, METHOD OF CULTURING CELLS USING THE SAME, CULTURE SOLUTION, AND CULTURED CELL LINE MIYABAYASHI TOMOYUKI 2009-06-18 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed
EP-1640449-A1 CELL DIFFERENTIATION INHIBITING AGENT, CELL CULTURE METHOD USING THE SAME, CULTURE MEDIUM AND CULTURED CELL LINE Asahi Kasei Kabushiki Kaisha (JP) 2006-03-29 EP disclosed
US-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-07-14 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 (4 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 MAPT 3963/4885ALDH1A1 1556/4885HTT 1585/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885ALDH1A1 591/4885HTT 3355/4885
US-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole MKI67, ALPG, NES MAPT 4659/4885ALDH1A1 38/4885HTT 4510/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885ALDH1A1 1067/4885HTT 4273/4885

“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.