SCHEMBL9688887

SCHEMBL9688887

O=C(O)c1ccc(Cl)cc1NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.64
CISD1 Q9NZ45 1/20 0.58
GRIK1 P39086 8/20 0.56
KDM4E B2RXH2 3/20 0.56
KDM6B O15054 1/20 0.56
KDM4A O75164 1/20 0.56
KDM4D Q6B0I6 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ASPH Q12797 1/20 0.54
RIOX2 Q8IUF8 1/20 0.54

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
SCHEMBL3808424 0.88 GAA (0.62) ACLYCISD1KDM4EKDM6BKDM4A
SCHEMBL7464371 0.87 MEN1 (0.59) ACLYGRIK1KDM4EKDM6BKDM4A
SCHEMBL27711219 0.85 KDM4E (0.52) ACLYCISD1KDM4EALDH1A1HPGD
SCHEMBL7467939 0.85 GRIK1 (0.59) ACLYGRIK1KDM4EKDM6BKDM4A
SCHEMBL22836946 0.85 KDM6B (0.58) ACLYGRIK1KDM4EKDM6BKDM4C
SCHEMBL14399036 0.83 ALDH1A1 (0.74) ACLYKDM4EKDM6BKDM4AKDM4D
SCHEMBL14389304 0.81 ACLY (0.51) ACLYGRIK1KDM4EALDH1A1MRGPRX4
SCHEMBL29855520 0.81 ACLY (0.51) ACLYGRIK1KDM4EALDH1A1MRGPRX4
SCHEMBL1147582 0.81 KDM4C (0.56) ACLYCISD1KDM4EKDM6BKDM4A
SCHEMBL4209068 0.81 ACLY (0.77) ACLYCISD1KDM4EKDM6BKDM4A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259167-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2022-08-18 US disclosed
WO-2020257940-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2020-12-30 WO disclosed
EP-0506709-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed
WO-1991008207-A1 ARTHROPODICIDAL PYRAZOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-13 WO 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 (1 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-20220259167-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE APP, AQP4, BACE1 ACLY 331/4885CISD1 2432/4885GRIK1 502/4885

“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.