SCHEMBL2534411

SCHEMBL2534411

COc1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 1.00
ALDH1A1 P00352 8/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
KDM4E B2RXH2 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.67
POLB P06746 2/20 0.67
GAA P10253 1/20 0.67
TP53 P04637 1/20 0.66
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPT P10636 1/20 0.64
HSD11B1 P28845 1/20 0.63
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL2535536 0.98 HPGD (0.96) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5213430 0.96 HPGD (0.93) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL14019821 0.93 HPGD (0.87) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL20631562 0.92 HPGD (0.86) HPGDALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL31497563 0.89 HPGD (0.79) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL2097647 0.86 HPGD (0.74) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL28474010 0.86 HPGD (0.75) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL10053023 0.86 HPGD (0.75) HPGDALDH1A1L3MBTL1POLBGAA
SCHEMBL7440364 0.84 HPGD (0.73) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL9792247 0.84 HPGD (0.79) HPGDALDH1A1L3MBTL1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119425733-A CdS/ZnCr2O4Photocatalyst, preparation method and application thereof 华南理工大学 2025-02-14 CN disclosed
EP-4359399-A1 EP2 ANTAGONIST COMPOUNDS Reservoir Neuroscience, Inc. (US) 2024-05-01 EP disclosed
WO-2022272062-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
CN-109824465-B Method for synthesizing amide by amine oxide catalyzed by bipyridine manganese catalyst 陕西师范大学 2022-01-04 CN disclosed
WO-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
EP-1861360-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-02 EP disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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 (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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HPGD 477/4885ALDH1A1 3756/4885L3MBTL1 3929/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HPGD 345/4885ALDH1A1 2837/4885L3MBTL1 3687/4885

“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.