SCHEMBL5799650

SCHEMBL5799650

COc1cc(Nc2cc(-c3ccc(F)cc3)nc3ccccc23)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 17/20 0.71
ABCG2 Q9UNQ0 3/20 0.59
ABCB1 P08183 2/20 0.59
ABCC1 P33527 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
SCHEMBL5802621 0.92 ACP1 (0.71) ACP1ABCG2ABCB1
SCHEMBL6001826 0.90 ACP1 (0.76) ACP1ABCG2ABCB1ABCC1
SCHEMBL5798977 0.83 ACP1 (0.68) ACP1ABCG2ABCB1ABCC1
SCHEMBL5801453 0.80 ACP1 (0.64) ACP1ABCG2ABCB1
SCHEMBL6001853 0.77 ACP1 (0.64) ACP1ABCG2ABCB1
SCHEMBL6001673 0.77 ACP1 (0.65) ACP1ABCG2ABCB1ABCC1
SCHEMBL17688791 0.74 ACP1 (1.00) ACP1ABCG2ABCB1
SCHEMBL6001965 0.74 ACP1 (0.61) ACP1ABCG2ABCB1
SCHEMBL6233225 0.73 POLB (0.51) ACP1ABCG2ABCB1
SCHEMBL6001975 0.72 ABCG2 (0.88) ABCG2ABCB1ABCC1

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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 US claimed
WO-2006058201-A2 HETEROCYCLIC AND BICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS REDDY US THERAPEUTICS, INC. (US) 2006-06-01 WO claimed
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 US disclosed
WO-2006058201-A2 HETEROCYCLIC AND BICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS REDDY US THERAPEUTICS, INC. (US) 2006-06-01 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ACP1 429/4885ABCG2 2694/4885ABCB1 2698/4885

“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.