SCHEMBL4857717

SCHEMBL4857717

CCOC(=O)Cc1ccc(OCCCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPK1 P28482 2/20 0.64
CYP1A2 P05177 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
HTR2A P28223 1/20 0.64
SCN1A P35498 1/20 0.64
HTR2B P41595 1/20 0.64
KCNH2 Q12809 1/20 0.64
SCN2A Q99250 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
SCN3A Q9NY46 1/20 0.64
LMNA P02545 2/20 0.62
USP2 O75604 1/20 0.62
EPHX2 P34913 5/20 0.59
LIPE Q05469 1/20 0.58
KDM4E B2RXH2 1/20 0.58
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL15522497 0.84 EPHX2 (0.60) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL5214308 0.83 HRH3 (0.72) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL7400266 0.81 GAA (0.62) ALDH1A1LMNAEPHX2LIPEKDM4E
SCHEMBL10174345 0.81 ALDH1A1 (0.74) ALDH1A1CYP1A2SIGMAR1LIPEKDM4E
SCHEMBL17452233 0.81 LIPE (0.60) HRH3ALDH1A1MAPK1LMNALIPE
SCHEMBL13186317 0.81 HRH3 (0.80) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL7402027 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
Pramoxine SCHEMBL26020 0.79 ALDH1A1 (1.00) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL7484161 0.79 SMN1; SMN2 (0.62) ALDH1A1MAPK1CYP1A2LMNAKDM4E
SCHEMBL10897064 0.79 ALDH1A1 (0.67) HRH3ALDH1A1MAPK1CYP1A2CHRM2

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
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 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 (2 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-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH3 2323/4885ALDH1A1 2360/4885MAPK1 217/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 HRH3 2323/4885ALDH1A1 2360/4885MAPK1 217/4885

“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.