SCHEMBL97464

SCHEMBL97464

O=[C]Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
IDO1 P14902 3/20 0.52
SIGMAR1 Q99720 3/20 0.44
FDPS P14324 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PYCR1 P32322 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL97716 0.81 MCL1 (0.39) PNMTTAAR1IDO1ALDH1A1POLB
SCHEMBL1529004 0.81 CA2 (0.56) TSHRIGF1RALOX15
SCHEMBL8943857 0.81 ALDH1A1 (0.46) PNMTTAAR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5542604 0.78 PNMT (0.55) PNMTTAAR1IDO1SIGMAR1ALDH1A1
SCHEMBL3232292 0.77 PYCR1 (0.55) PNMTTAAR1IDO1SIGMAR1FDPS
SCHEMBL29609180 0.77 IDO1 (0.52) PNMTTAAR1IDO1SIGMAR1FDPS
SCHEMBL7769505 0.77 IDO1 (0.52) PNMTTAAR1IDO1SIGMAR1FDPS
SCHEMBL2308 0.77 IDO1 (0.52) PNMTTAAR1IDO1SIGMAR1FDPS
SCHEMBL11579051 0.77 KMT2A (0.51) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL11703284 0.77 ALDH1A1 (0.44) TAAR1TSHRMAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880764-B Sinomenine derivative and preparation method and application thereof 北京师范大学 2023-04-18 CN claimed
CN-113880764-A Sinomenine derivative and preparation method and application thereof 北京师范大学 2022-01-04 CN claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
US-7417027-B2 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2008-08-26 US claimed
EP-1441750-A4 LINEAR AND CYCLIC MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2006-10-18 EP claimed
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
US-5872262-A COMPOUNDS AS INHIBITORS OF PLASMEPSIN AND CATHEPSIN PHARMACOPEIA, INC. (US) 1999-02-16 US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 US claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
US-4927832-A DIURETIC, ANTIARRYTHMIA, ANTIISCHEMIC, HYPOTENSIVE ROUSSEL UCLAF (FR) 1990-05-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC PNMT 1129/4885TAAR1 4703/4885IDO1 3245/4885
US-20050038230-A1 Linear and cyclic melanocortin receptor-specific peptides MC1R, MC3R, MC5R PNMT 454/4885TAAR1 139/4885IDO1 664/4885

“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.