SCHEMBL3926671

SCHEMBL3926671

NC(=O)C1(c2cccc(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
LMNA P02545 1/20 0.43
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
SYK P43405 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC4 P56524 1/20 0.40
C1S P09871 1/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.38
AKT1 P31749 1/20 0.37
HPGD P15428 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL30016494 1.00 PARP1 (0.47) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL14737934 0.93 LMNA (0.48) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL31292857 0.93 LMNA (0.51) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL3170834 0.92 LMNA (0.54) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL332753 0.89 ALOX5 (0.50) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL30891976 0.85 PARP1 (0.43) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL29238309 0.85 PARP1 (0.43) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL671822 0.84 AKR1C1 (0.53) HCAR3HCAR2SMN1; SMN2ALDH1A1GAA
SCHEMBL30891980 0.83 PARP1 (0.42) PARP1LMNAHCAR3HCAR2CTSD
SCHEMBL29238609 0.83 PARP1 (0.42) PARP1LMNAHCAR3HCAR2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
US-20230079863-A1 KHK INHIBITORS GILEAD SCIENCES, INC. 2023-03-16 US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 EP disclosed
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
WO-2009007747-A2 HYDANTOIN DERIVATIVES USED AS MMP12 INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20070105921-A1 Process for Preparing Oxazole Intermediates PHARMACIA & UPJOHN COMPANY 2007-05-10 US disclosed
US-20070105921-A1 Process for Preparing Oxazole Intermediates PHARMACIA & UPJOHN COMPANY 2007-05-10 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 (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-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 PARP1 4713/4885LMNA 4398/4885HCAR3 2886/4885
US-20230079863-A1 KHK INHIBITORS KHK, KHDRBS1, NADK PARP1 1574/4885LMNA 3065/4885HCAR3 2853/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK PARP1 1574/4885LMNA 3065/4885HCAR3 2853/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP PARP1 1033/4885LMNA 479/4885HCAR3 2015/4885
US-20070105921-A1 Process for Preparing Oxazole Intermediates OXA1L, SOD1, PSEN1 PARP1 2090/4885LMNA 3921/4885HCAR3 1405/4885
US-20120270870-A1 Indazole and Pyrazolopyridine Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 PARP1 775/4885LMNA 4244/4885HCAR3 105/4885

“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.