SCHEMBL15845985

SCHEMBL15845985

COCc1ncccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
HKDC1 Q2TB90 1/20 0.34
PADI1 Q9ULC6 1/20 0.34
PADI3 Q9ULW8 1/20 0.34
PADI4 Q9UM07 1/20 0.34
PADI2 Q9Y2J8 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL29132997 0.86 TRIM24 (0.33) NPC1RAB9AHTTKDM4ENPSR1
SCHEMBL18513565 0.78 GABRA1 (0.45) NPC1RAB9AHTTKDM4ENPSR1
SCHEMBL31003106 0.78 GABRA1 (0.45) NPC1RAB9AHTTKDM4ENPSR1
SCHEMBL390654 0.77
SCHEMBL7062239 0.77
SCHEMBL31420239 0.77
SCHEMBL24107663 0.77 ALDH1A1 (0.44) KDM4EALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL29587068 0.77 AKT1 (0.34) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL398730 0.77 AKT1 (0.34) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8497269 0.76 PLAU (0.43) NPC1RAB9AHTTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076285-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed
CN-119156393-A Cyclic compound, preparation method and medical application thereof 翰森生物有限责任公司 2024-12-17 CN disclosed
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
CN-117820199-A Amide compound and application thereof in preparation of Sigma2 and 5HT2A inhibitors 瀚远医药有限公司 2024-04-05 CN disclosed
WO-2024067302-A1 AMIDE COMPOUND AND USE THEREOF IN PREPARATION OF INHIBITOR OF SIGMA2 AND 5HT2A 瀚远医药有限公司 2024-04-04 WO disclosed
CN-117447475-A Pyrazolo [4,3-b ] pyridines and imidazo [1,5-a ] pyrimidines as PDE1 inhibitors H.隆德贝克有限公司 2024-01-26 CN disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
EP-4308558-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-24 EP disclosed
US-20240018124-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-18 US disclosed
US-20240018124-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-01-18 US disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
US-20210009571-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-01-14 US disclosed
EP-3728250-A1 PYRAZOLO[3,4-beta]PYRIDINES AND IMIDAZO[1,5-beta]PYRIDAZINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2020-10-28 EP disclosed
CN-111511742-A Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2020-08-07 CN disclosed
US-9656971-B2 COMT inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-05-23 US disclosed
EP-2938600-B1 COMT INHIBITORS HOFFMANN LA ROCHE (CH) 2017-01-25 EP disclosed
US-20160002177-A1 COMT INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
EP-2938600-A1 COMT INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-11-04 EP disclosed
WO-2014102233-A1 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-03 WO disclosed
CN-103764629-A Positive allosteric modulators of nicotinic acetylcholine receptors LUNDBECK & CO AS H 2014-04-30 CN 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-20210009571-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS PDE5A, PDE12, PDE3A NPC1 1816/4885RAB9A 1967/4885HTT 1703/4885
US-20160002177-A1 COMT INHIBITORS COMT, PNMT, SLC6A3 NPC1 2621/4885RAB9A 341/4885HTT 445/4885
US-20240018124-A1 MODULATORS OF FPR1 AND METHODS OF USING THE SAME FPR1, FPR2, FPR3 NPC1 1194/4885RAB9A 4273/4885HTT 1917/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM NPC1 4691/4885RAB9A 3086/4885HTT 1607/4885

“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.