SCHEMBL7123326

SCHEMBL7123326

OCc1ccccc1OCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.71
DRD4 P21917 3/20 0.71
DRD5 P21918 3/20 0.71
KDM4E B2RXH2 3/20 0.62
POLB P06746 2/20 0.60
MAOB P27338 1/20 0.57
USP2 O75604 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HRH1 P35367 3/20 0.52
DRD3 P35462 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
DRD2 P14416 1/20 0.51
LTA4H P09960 1/20 0.51

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
SCHEMBL6997049 0.87 DRD1 (0.72) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL6935354 0.85 DRD1 (0.71) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL240294 0.85 DRD1 (0.71) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL110986 0.85 DRD1 (0.71) DRD1DRD4DRD5KDM4EPOLB
Hydrochloric Acid SCHEMBL14966707 0.84 DRD1 (0.69) DRD1DRD4DRD5KDM4EPOLB
Hydrochloric Acid SCHEMBL7114617 0.84 DRD1 (0.69) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL6689247 0.83 DRD1 (0.68) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL7091880 0.83 DRD1 (0.67) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL14396561 0.82 POLB (0.63) DRD1DRD4DRD5KDM4EPOLB
SCHEMBL10190886 0.82 DRD1 (0.66) DRD1DRD4DRD5KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 DRD1 4738/4885DRD4 4659/4885DRD5 4001/4885

“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.