SCHEMBL3857282

SCHEMBL3857282

CCCC(=O)NOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
METAP2 P50579 2/20 0.48
METAP1 P53582 2/20 0.48
CYP2C19 P33261 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MTNR1B P49286 5/20 0.45
MTNR1A P48039 2/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL4540135 0.85 RECQL (0.53) ALDH1A1MAPTHPGDMETAP2METAP1
SCHEMBL4222329 0.84 TP53 (0.49) ALDH1A1
SCHEMBL10652174 0.83 HDAC1 (0.57) ALOX5CYP3A4KDM4E
SCHEMBL7445508 0.81 MEN1 (0.42) ALDH1A1METAP2METAP1CYP2C19RECQL
SCHEMBL4214741 0.80 KMT2A (0.57) ALDH1A1MAPTHPGDCYP2C19L3MBTL1
SCHEMBL8493313 0.80 HDAC2 (0.59) ALDH1A1MAPTMETAP2METAP1RAB9A
SCHEMBL8161055 0.79 HDAC1 (0.53) ALDH1A1MAPTCYP3A4
SCHEMBL13771296 0.79 MEN1 (0.51) CYP3A4
SCHEMBL28314990 0.79 ADRA2C (0.53) ALDH1A1MAPTHPGDMETAP2METAP1
SCHEMBL4364371 0.78 KDM4E (0.54) ALOX5ALDH1A1MAPTHPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
CN-113347880-B Safety compositions comprising a pyridine carboxylate herbicide and a bisbenzoxazole acid 科迪华农业科技有限责任公司 2023-02-17 CN disclosed
US-7576206-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-08-18 US disclosed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP ALOX5 3577/4885ALDH1A1 4570/4885MAPT 4761/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 ALOX5 2283/4885ALDH1A1 3935/4885MAPT 2121/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALOX5 1614/4885ALDH1A1 2036/4885MAPT 517/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 ALOX5 1810/4885ALDH1A1 2178/4885MAPT 246/4885

“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.