SCHEMBL5635261

SCHEMBL5635261

Brc1ccc2c(c1)CCC21CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
PNMT P11086 2/20 0.41
ASIC3 Q9UHC3 1/20 0.41
PARP1 P09874 2/20 0.40
SIGMAR1 Q99720 3/20 0.40
SLC18A3 Q16572 2/20 0.40
TDP2 O95551 1/20 0.38
BACE1 P56817 3/20 0.36
APP P05067 1/20 0.36
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
METAP1 P53582 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
PARP10 Q53GL7 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP11 Q9NR21 1/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL13769243 0.90 KDM1A (0.41) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL2258656 0.89 TDP2 (0.41) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL22471609 0.87 KDM1A (0.39) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL29067338 0.87 PNMT (0.47) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL12077824 0.85 KDM1A (0.55) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL2252850 0.82 KDM1A (0.39) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL5531246 0.82 KDM1A (0.39) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL2252855 0.82 KDM1A (0.39) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL5538070 0.82 KDM1A (0.39) KDM1APNMTASIC3PARP1SIGMAR1
SCHEMBL2498088 0.81 PNMT (0.45) KDM1APNMTASIC3PARP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
WO-2017109061-A1 SPIROCYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-06-29 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (3 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP KDM1A 1072/4885PNMT 1452/4885ASIC3 4254/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KDM1A 1018/4885PNMT 3048/4885ASIC3 3231/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KDM1A 1018/4885PNMT 3048/4885ASIC3 3231/4885

“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.