SCHEMBL4909955

SCHEMBL4909955

COc1ccc(-c2c[c]c3ccccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
LMNA P02545 2/20 0.56
ACACA Q13085 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ACP1 P24666 10/20 0.50
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
ADORA2A P29274 1/20 0.46

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
SCHEMBL4909913 0.84 NPC1 (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4912670 0.82 ALDH1A1 (0.45) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL2215511 0.82 KDM4E (0.56) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6978552 0.82 KDM4E (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29133411 0.82 DHODH (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL234452 0.81 ACHE (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5780643 0.79 CYP19A1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4907021 0.79 NPC1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4901955 0.79 CYP1A1 (0.41) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL27487827 0.78 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN claimed
CN-107973781-A Novel quinoline class compound and its synthetic method and application with reversing tumor cells resistance activity 河南师范大学 2018-05-01 CN claimed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed
CN-107973781-A Novel quinoline class compound and its synthetic method and application with reversing tumor cells resistance activity 河南师范大学 2018-05-01 CN disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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 (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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 KDM4E 4323/4885ALDH1A1 2856/4885NPC1 228/4885

“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.