SCHEMBL6158355

SCHEMBL6158355

COc1ccc(C(=O)COc2ccc(NC3=NCCN3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.74
ADRA2A P08913 4/20 0.68
ADRA2B P18089 4/20 0.68
ADRA2C P18825 4/20 0.68
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
Hydrochloric Acid SCHEMBL5838701 0.83 PTGIR (0.58) PTGIRADRA2AADRA2BADRA2C
SCHEMBL13017285 0.83 ADRA2A (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL6159018 0.82 ADRA2A (0.59) PTGIRADRA2AADRA2BADRA2CALDH1A1
Hydrochloric Acid SCHEMBL6160067 0.81 ADRA2A (0.58) PTGIRADRA2AADRA2BADRA2CALDH1A1
Hydrochloric Acid SCHEMBL4689110 0.81 PTGIR (0.72) PTGIRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL5656473 0.80 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL5654971 0.79 PTGIR (0.70) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5803970 0.79 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5805033 0.79 PTGIR (1.00) PTGIRADRA2AADRA2BADRA2C
SCHEMBL5839751 0.79 PTGIR (0.71) PTGIRADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1339694-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 US disclosed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 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-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 PTGIR 26/4885ADRA2A 50/4885ADRA2B 46/4885

“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.