SCHEMBL4548290

SCHEMBL4548290

CC(=O)NCCN1CCCC1=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
TSHR P16473 2/20 0.58
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL16254590 0.95 KMT2A (0.65) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL22838012 0.93 KMT2A (0.63) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL425352 0.90 RAB9A (0.60) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL11470310 0.86 KMT2A (0.81) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL19145900 0.84 KMT2A (0.64) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL12962115 0.83 KMT2A (0.68) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL14365834 0.83 KMT2A (1.00) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL10370837 0.83 KMT2A (0.67) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL10371086 0.83 KMT2A (0.67) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL12017882 0.82 KMT2A (0.66) KMT2ATSHRRAB9ANPC1SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021146629-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2021-07-22 WO disclosed
US-20200407470-A1 METHODS OF SYNTHESIS OF HOMOPOLYMERS AND NON-HOMOPOLYMERS COMPRISING REPEATING UNITS DERIVED FROM MONOMERS COMPRISING LACTAM AND ACRYLOYL MOIETIES IN AN AQUEOUS MEDIUM ISP INVESTMENTS LLC (US) 2020-12-31 US disclosed
US-10844154-B2 Proliferous copolymers comprising lactamic moieties ISP INVESTMENTS LLC (US) 2020-11-24 US disclosed
WO-2020210828-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. (US) 2020-10-15 WO disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 WO disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
US-10632059-B2 Non-aqueous compositions of polymers derived from monomers having acryloyl moiety and lactam moiety and applications thereof ISP INVESTMENTS LLC (US) 2020-04-28 US disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
EP-2809652-B1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
EP-2964617-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-20160024251-A1 THERMORESPONSIVE POLYESTERS THE UNIVERSITY OF AKRON 2016-01-28 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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 (7 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT KMT2A 761/4885TSHR 4506/4885RAB9A 2490/4885
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 KMT2A 1732/4885TSHR 2798/4885RAB9A 909/4885
US-10632059-B2 Non-aqueous compositions of polymers derived from monomers having acryloyl moiety and lactam moiety and applications thereof C9, PARG, C5 KMT2A 3840/4885TSHR 4135/4885RAB9A 3191/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KMT2A 2807/4885TSHR 655/4885RAB9A 2816/4885
US-10844154-B2 Proliferous copolymers comprising lactamic moieties PCNA, MKI67, CCNA1 KMT2A 1923/4885TSHR 4126/4885RAB9A 4179/4885
US-20160024251-A1 THERMORESPONSIVE POLYESTERS COASY, CD14, NCAPH KMT2A 2313/4885TSHR 4068/4885RAB9A 2288/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KMT2A 761/4885TSHR 4506/4885RAB9A 2490/4885

“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.