SCHEMBL13684207

SCHEMBL13684207

CCCC(F)(F)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KCNA5 P22460 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.39
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL26479501 0.85 CYP19A1 (0.49) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL18427184 0.79 CYP19A1 (0.49) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL21369405 0.79 CYP19A1 (0.49) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL3930928 0.78 KCNA5 (0.49) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL1380025 0.78 KCNA5 (0.57) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL15979324 0.76 CYP19A1 (0.46) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL1097922 0.76 TSHR (0.46) LMNACYP1A2CYP3A4KIF11
SCHEMBL28787569 0.75 KCNA5 (0.46) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL10264542 0.75 CYP19A1 (0.44) CYP19A1TDP1LMNACYP1A2CYP3A4
SCHEMBL13557773 0.74 CYP19A1 (0.55) CYP19A1TDP1LMNACYP1A2CYP3A4

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-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 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-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 CYP19A1 1914/4885TDP1 2826/4885LMNA 4180/4885

“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.