SCHEMBL953875

SCHEMBL953875

O=Cc1c(F)ccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
ERN1 O75460 1/20 0.33
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC2A1 P11166 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL488952 0.86 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL29447959 0.82 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL615646 0.82 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL1359343 0.82 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL189622 0.80 ALDH1A1 (0.59) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL3703248 0.80 ALDH1A1 (0.38) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL23832846 0.78 MEN1 (0.37) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL2005740 0.78 ALDH1A1 (0.41) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL2252231 0.78 ERN1 (0.44) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL828218 0.78 ALDH1A1 (0.37) ALDH1A1TDP1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 CN disclosed
WO-2023138684-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO , INC. (US) 2023-07-27 WO disclosed
CN-109890797-B Substituted carbon nucleoside derivatives useful as anticancer agents 辉瑞公司 2023-02-28 CN disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
EP-3609904-B1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (CH) 2022-11-30 EP disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
US-11066443-B2 Anti-bacterial peptide macrocycles and use thereof HOFFMANN-LA ROCHE INC. (US) 2021-07-20 US disclosed
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
US-5482974-A AMINO OR ETHER BENZAMIDES MONSANTO COMPANY (US) 1996-01-09 US disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
EP-0211584-A1 Antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1987-02-25 EP disclosed
US-4618678-A 4-(2,3-dichloro-6-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-1,7-naphthyridine-3-carboxylic acid 2-(2,3-dichlorophenoxy)ethyl ester AMERICAN HOME PRODUCTS CORPORATION (US) 1986-10-21 US disclosed
US-4607041-A CARDIOTONIC AGENTS FISONS PLC (GB) 1986-08-19 US disclosed
US-4596873-A 1,4,5,6,7,8-Hexahydro-2-alkyl-4-aryl-5-oxo-1,7-naphthyridine-3-carboxylic acid aromatic esters and pharmaceutically acceptable acid addition salts thereof useful as antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1986-06-24 US disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP 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-11066443-B2 Anti-bacterial peptide macrocycles and use thereof CFTR, VIP, NGLY1 ALDH1A1 4791/4885TDP1 3736/4885MEN1 635/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885TDP1 4511/4885MEN1 650/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885TDP1 4511/4885MEN1 650/4885

“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.