SCHEMBL368131

SCHEMBL368131

NC(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SMYD3 Q9H7B4 1/20 0.51
KDM1A O60341 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
HSD17B3 P37058 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 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
SCHEMBL29410879 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL16526953 0.98 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL28389380 0.98 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL1719205 0.96 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL29543577 0.96 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL21168435 0.91 HSD17B3 (0.55) ALDH1A1MEN1KMT2ANPC1MAPT
Sulfuric Acid SCHEMBL27798096 0.89 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPC1MAPT
Trifluoroacetic Acid SCHEMBL7423059 0.88 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL10539670 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPC1MAPT
Glycine SCHEMBL7128369 0.86 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280933-A1 2 -AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2011-02-09 EP claimed
US-6936173-B2 Carbohydrate purification using ultrafiltration, reverse osmosis and nanofiltration NEOSE TECHNOLOGIES, INC. (US) 2005-08-30 US claimed
US-20030029799-A1 Carbohydrate purification using ultrafiltration, reverse osmosis and nanofiltration NEOSE TECHNOLOGIES 2003-02-13 US claimed
US-20020148791-A1 Carbohydrate purification using ultrafiltration, reverse osmosis and nanofiltration NEOSE TECHNOLOGIES (US) 2002-10-17 US claimed
JP-2001502005-A 2001-02-13 JP claimed
EP-0931097-A4 CARBOHYDRATE PURIFICATION USING ULTRAFILTRATION, REVERSE OSMOSIS AND NANOFILTRATION CYTEL CORP (US) 2000-01-12 EP claimed
EP-0931097-A1 CARBOHYDRATE PURIFICATION USING ULTRAFILTRATION, REVERSE OSMOSIS AND NANOFILTRATION CYTEL CORPORATION (US) 1999-07-28 EP claimed
WO-1998015581-A1 CARBOHYDRATE PURIFICATION USING ULTRAFILTRATION, REVERSE OSMOSIS AND NANOFILTRATION CYTEL CORPORATION (US) 1998-04-16 WO claimed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
CN-107207416-B Novel adamantane derivative compound 株式会社爱茉莉太平洋 2020-02-07 CN disclosed
EP-0820519-A1 ENZYMATIC SYNTHESIS OF GLYCOSIDIC LINKAGES CYTEL CORPORATION (US) 1998-01-28 EP disclosed
EP-0820520-A1 IMPROVED ENZYMATIC SYNTHESIS OF OLIGOSACCHARIDES CYTEL CORPORATION (US) 1998-01-28 EP disclosed
WO-1996032491-A1 ENZYMATIC SYNTHESIS OF GLYCOSIDIC LINKAGES CYTEL CORPORATION (US) 1996-10-17 WO disclosed
WO-1996032492-A1 IMPROVED ENZYMATIC SYNTHESIS OF OLIGOSACCHARIDES CYTEL CORPORATION (US) 1996-10-17 WO disclosed
EP-0666250-A1 Derivatives of N-(3-aminopropyl)-N-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide having neuroprotective and anti-ischemic properties, their preparation and their use, in therapy SYNTHELABO (FR) 1995-08-09 EP disclosed
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 ALDH1A1 1575/4885MEN1 3280/4885KMT2A 355/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 ALDH1A1 1849/4885MEN1 4540/4885KMT2A 664/4885
US-20020148791-A1 Carbohydrate purification using ultrafiltration, reverse osmosis and nanofiltration OSTC, TREH, MGAM ALDH1A1 1873/4885MEN1 4409/4885KMT2A 4465/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 ALDH1A1 1611/4885MEN1 3330/4885KMT2A 364/4885

“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.