SCHEMBL243430

SCHEMBL243430

O=C(O)CCCc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
HTT P42858 2/20 1.00
ALOX15 P16050 1/20 1.00
LMNA P02545 2/20 0.71
HPGD P15428 7/20 0.67
POLB P06746 1/20 0.67
ATM Q13315 1/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 4/20 0.62
PKM P14618 3/20 0.62
MAPT P10636 1/20 0.62
SLC13A5 Q86YT5 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57

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
SCHEMBL6645560 0.95 SMN1; SMN2 (0.91) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL7835431 0.94 SMN1; SMN2 (0.89) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL7835167 0.94 SMN1; SMN2 (0.89) SMN1; SMN2HTTALOX15LMNAHPGD
Methane SCHEMBL7997331 0.93 SMN1; SMN2 (0.86) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL1269672 0.90 SMN1; SMN2 (0.82) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL5201727 0.88 HTT (0.78) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL10967736 0.84 HTT (0.73) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL17500055 0.84 HTT (0.71) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL12046962 0.84 LMNA (0.74) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL6034952 0.83 LMNA (1.00) SMN1; SMN2HTTALOX15LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 EP claimed
EP-2716285-B1 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT RECH SCIENT (FR) 2016-04-27 EP claimed
JP-2012500393-A 2012-01-05 JP claimed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 US claimed
EP-2331967-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-06-15 EP claimed
WO-2010020647-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 WO claimed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 WO claimed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 EP disclosed
CN-107709323-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2018-02-16 CN disclosed
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
EP-1236725-B1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES GRELAN PHARMACEUTICAL CO (JP) 2004-03-10 EP disclosed
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 US disclosed
EP-1236725-A1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES Grelan Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP 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 (6 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 SMN1; SMN2 3554/4885HTT 3482/4885ALOX15 2590/4885
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885HTT 2349/4885ALOX15 1143/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885HTT 2349/4885ALOX15 1143/4885
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS DOCK5, ARHGDIB, ARHGDIA SMN1; SMN2 3196/4885HTT 4111/4885ALOX15 3344/4885
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B SMN1; SMN2 2278/4885HTT 4584/4885ALOX15 3126/4885
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT SMN1; SMN2 8/4885HTT 46/4885ALOX15 1506/4885

“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.