SCHEMBL49130

SCHEMBL49130

CC(=O)NCCCn1ccnc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
QPCT Q16769 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
HSD17B10 Q99714 1/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
NAMPT P43490 1/20 0.58
POLB P06746 1/20 0.57
CYP2C19 P33261 1/20 0.57
CYP19A1 P11511 1/20 0.56

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
SCHEMBL17482346 0.95 L3MBTL1 (0.60) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4399230 0.90 ALDH1A1 (0.54) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL13655177 0.86 SMN1; SMN2 (0.72) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL18544251 0.86 L3MBTL1 (0.69) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL6398857 0.85 L3MBTL1 (0.68) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL18317579 0.85 L3MBTL1 (0.68) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL935331 0.84 L3MBTL1 (0.59) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL14365890 0.84 QPCT (0.68) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL13472650 0.84 KDM4E (0.67) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1
SCHEMBL18317375 0.83 L3MBTL1 (0.66) L3MBTL1QPCTSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN claimed
WO-2006089874-A1 BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONES GPC BIOTECH AG (DE) 2006-08-31 WO claimed
EP-0230035-B1 Omega-[(hetero)alkyl]benz[cd]indol-2-amines AMERICAN CYANAMID CO (US) 1994-10-12 EP claimed
US-11670777-B2 Thin film forming composition for energy storage device electrodes NISSAN CHEMICAL CORPORATION (JP) 2023-06-06 US disclosed
WO-2023072974-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2021224291-A1 TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS MERCK PATENT GMBH (DE) 2021-11-11 WO disclosed
US-10995091-B2 CXCR4 receptor antagonists PROXIMAGEN LLC (US) 2021-05-04 US disclosed
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN disclosed
WO-2018075600-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2018-04-26 WO disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-08-24 US disclosed
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents SYNGENTA CROP PROTECTION, INC. 2007-02-08 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
EP-1343505-A1 CXCR3 ANTAGONISTS Tularik Inc. (US) 2003-09-17 EP disclosed
WO-2002083143-A1 CXCR3 ANTAGONISTS TULARIK INC. (US) 2002-10-24 WO disclosed
EP-0424214-A1 5-[2-[[2-Amino-2-oxoethyl]methylamino]ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5(5H)-benzothiazepine-4-one derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1991-04-24 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 (5 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 L3MBTL1 1326/4885QPCT 3367/4885SMN1; SMN2 3178/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 L3MBTL1 3931/4885QPCT 417/4885SMN1; SMN2 4399/4885
US-20070032490-A1 N-Phenyl-'(4-pyridyl)-azinyl!amine derivatives as plant protection agents CYP1A1, NAT1, AKR7A2 L3MBTL1 2790/4885QPCT 2237/4885SMN1; SMN2 3126/4885
US-20170239259-A1 ARYLOXY PHENOXY ACRYLIC COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ACTIVE INGREDIENT HIF1A, HIF1AN, VHL L3MBTL1 3786/4885QPCT 4688/4885SMN1; SMN2 2399/4885
US-10995091-B2 CXCR4 receptor antagonists CXCR4, CXCR1, CXCR2 L3MBTL1 2675/4885QPCT 2589/4885SMN1; SMN2 4054/4885

“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.