SCHEMBL7740756

SCHEMBL7740756

CC(=O)C(C#N)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
FFAR2 O15552 1/20 0.40
GPX4 P36969 1/20 0.39
S1PR3 Q99500 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.38
FFAR1 O14842 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.36
CTSC P53634 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11810764 0.84 HDAC4 (0.47) BRD4HDAC4HDAC7HDAC5FFAR2
SCHEMBL2542929 0.84 HDAC4 (0.47) BRD4HDAC4HDAC7HDAC5FFAR2
SCHEMBL8684068 0.82 ALDH1A1 (0.46) POLBALDH1A1FFAR1GAALMNA
SCHEMBL4169154 0.81 CYP1A2 (0.48) POLBALDH1A1
SCHEMBL1720514 0.81 LMNA (0.51) HDAC4HDAC7HDAC5ALDH1A1FFAR1
SCHEMBL6802464 0.81 HDAC4 (0.44) BRD4HDAC4HDAC7HDAC5ALDH1A1
SCHEMBL6049547 0.81 BRD4 (0.36) BRD4S1PR3ALDH1A1GAATSHR
SCHEMBL5199206 0.80 L3MBTL1 (0.49) BRD4HDAC4HDAC7HDAC5FFAR2
SCHEMBL10686874 0.80 BRD4 (0.41) BRD4HDAC4HDAC7HDAC5FFAR2
SCHEMBL4735057 0.80 BRD4 (0.41) BRD4HDAC4HDAC7HDAC5FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153674-B Iminothiadiazine dioxide derivatives as inhibitors of plasmepsin V of plasmodium UCB生物制药有限责任公司 2022-03-22 CN disclosed
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors UCB Biopharma SRL (BE) 2021-10-05 US disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 CN disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS CELLTECH R&D LIMITED (GB) 2020-09-10 US disclosed
EP-3380464-B1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
US-10464932-B2 Iminothiadiazinane dioxide derivatives as plasmepsin V inhibitors UCB BIOPHARMA SPRL (BE) 2019-11-05 US disclosed
US-20190040053-A1 Iminothiadiazinane Dioxide Derivatives as Plasmepsin V Inhibitors UCB BIOPHARMA SPRL (BE) 2019-02-07 US disclosed
EP-3419975-A1 IMINOTHIADIAZINANE DIOXIDE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2019-01-02 EP disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-6417386-B2 HYDRAZONE DERIVATIVES; ACARINA; MITICIDES SYNGENTA CROP PROTECTION, INC. 2002-07-09 US disclosed
US-20010039247-A1 Pesticidal compositions KARRER FRIEDRICH (CH) 2001-11-08 US disclosed
US-6306798-B1 Compounds for controlling insects and representatives of the order acarina SYNGENTA CROP PROTECTION, INC. 2001-10-23 US disclosed
EP-1021398-A1 PESTICIDAL COMPOSITIONS Novartis AG (CH) 2000-07-26 EP disclosed
CN-1226230-A Pesticidal composition NOVARTIS AG (CH) 1999-08-18 CN disclosed
WO-1998003475-A1 PESTICIDAL COMPOSITIONS NOVARTIS AG (CH) 1998-01-29 WO disclosed
US-4076530-A Dry photographic copying method for producing Te images FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 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 (6 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-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS PEPD, ADAM17, ANPEP BRD4 796/4885HDAC4 1537/4885HDAC7 2378/4885
US-10464932-B2 Iminothiadiazinane dioxide derivatives as plasmepsin V inhibitors PEPD, CTSL, SERPINE1 BRD4 1112/4885HDAC4 1197/4885HDAC7 1775/4885
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors PEPD, ADAM17, ANPEP BRD4 796/4885HDAC4 1537/4885HDAC7 2378/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 BRD4 649/4885HDAC4 592/4885HDAC7 515/4885
US-20010039247-A1 Pesticidal compositions MTX1, PEF1, ECH1 BRD4 4451/4885HDAC4 3442/4885HDAC7 2596/4885
US-20190040053-A1 Iminothiadiazinane Dioxide Derivatives as Plasmepsin V Inhibitors PEPD, CTSL, SERPINE1 BRD4 1112/4885HDAC4 1197/4885HDAC7 1775/4885

“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.