SCHEMBL3370944

SCHEMBL3370944

CC(=O)COc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.54
ATF4 P18848 4/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL2955123 0.89 HPGD (0.50) ALDH1A1L3MBTL1CYP1A2CYP2C19GAA
Acetic Acid SCHEMBL10534942 0.84 ALOX15 (0.59) PTGS2MAOAMAOBALDH1A1L3MBTL1
SCHEMBL11440981 0.83 MAPT (0.60) PTGS2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11149214 0.83 PTGS2 (0.50) PTGS2MAOAMAOBALDH1A1L3MBTL1
SCHEMBL12452166 0.81 PTGS2 (0.50) PTGS2MAOAMAOBALDH1A1L3MBTL1
SCHEMBL3913184 0.81 PTGS2 (0.58) PTGS2MAOAMAOBALDH1A1L3MBTL1
SCHEMBL40485 0.81 ALOX15 (0.65) ALDH1A1MEN1KMT2AATF4MAPT
SCHEMBL10858118 0.81 LMNA (0.58) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL30969690 0.81 ALOX15 (0.65) ALDH1A1MEN1KMT2AATF4MAPT
SCHEMBL11642577 0.81 ATF4 (0.54) PTGS2ALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250107-A1 PROCESS FOR PREPARING MODULATORS OF EUKARYOTIC INITIATION FACTOR 2B DENALI THERAPEUTICS INC. (US) 2023-12-28 WO disclosed
EP-2968347-B1 MODULATORS OF THE EIF2ALPHA PATHWAY UNIV CALIFORNIA (US) 2023-08-02 EP disclosed
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
US-11547704-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-01-10 US disclosed
EP-3235799-B1 OXIME COMPOUND AND HERBICIDE NISSAN CHEMICAL CORP (JP) 2022-02-23 EP disclosed
WO-2021216722-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2021-10-28 WO disclosed
US-11000033-B2 Ketone or oxime compound, and herbicide NISSAN CHEMICAL CORPORATION (JP) 2021-05-11 US disclosed
US-20200297710-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-09-24 US disclosed
WO-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 WO disclosed
US-10391076-B2 Anti-cancer agent comprising aminoacetonitrile compound as active ingredient PITNEY PHARMACEUTICALS PTY LTD. (AU) 2019-08-27 US disclosed
WO-2004000797-A1 ALPHA-SULFONYLAMINO-ACETONITRILES SYNGENTA PARTICIPATIONS AG (CH) 2003-12-31 WO disclosed
US-6239077-B1 PESTICIDES; APPLYING TO PLANTS NIHON NOHYAKU CO., LTD. (JP) 2001-05-29 US disclosed
CN-1234177-A Amino-acetonitrile derivative, pesticides containing same for farm and gardening and use thereof NIHON NOHYAKU CO LTD (JP) 1999-11-10 CN disclosed
EP-0953565-A2 Aminoacetonitrile derivative, agricultural and horticultural insecticide containing the same, and use thereof NIHON NOHYAKU CO., LTD. (JP) 1999-11-03 EP disclosed
EP-0413843-B1 Dithiolane derivatives NIHON NOHYAKU CO LTD (JP) 1994-12-21 EP disclosed
US-5041440-A Treatment and prophylaxis of liver disorders NIHON NOHYAKU CO., LTD. (JP) 1991-08-20 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4149006-A Prostaglandin derivatives having alkynyl, hydroxy and aryloxy junctions in the 2β side chain G. D. SEARLE & CO. (US) 1979-04-10 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-11000033-B2 Ketone or oxime compound, and herbicide OR10J3, CYP1B1, CBR3 PTGS2 2838/4885MAOA 1665/4885MAOB 461/4885
US-20200297710-A1 Chemical Compounds ATF4, XBP1, EIF2B5 PTGS2 1459/4885MAOA 4679/4885MAOB 3828/4885
US-10391076-B2 Anti-cancer agent comprising aminoacetonitrile compound as active ingredient RB1, CCNA1, CCNT1 PTGS2 3380/4885MAOA 3129/4885MAOB 3015/4885
US-11547704-B2 Chemical compounds ATF4, XBP1, EIF2B5 PTGS2 1459/4885MAOA 4679/4885MAOB 3828/4885

“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.