SCHEMBL10168702

SCHEMBL10168702

COC(=O)c1ccc(-c2cc(-c3cccnc3)cc(-c3ccc(Cl)c(Cl)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.64
CYP11B1 P15538 1/20 0.64
CYP11B2 P19099 1/20 0.64
SLC2A1 P11166 1/20 0.63
KDR P35968 1/20 0.56
NR4A2 P43354 3/20 0.54
MKNK1 Q9BUB5 5/20 0.51
MKNK2 Q9HBH9 5/20 0.51
ACLY P53396 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2345607 0.85 CYP19A1 (0.74) CYP19A1CYP11B1CYP11B2SLC2A1NR4A2
SCHEMBL10168717 0.85 MKNK1 (0.70) KDRMKNK1MKNK2ALDH1A1MAPT
SCHEMBL10028698 0.81 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2SLC2A1NR4A2
SCHEMBL14212113 0.80 CYP19A1 (0.51) CYP19A1CYP11B1CYP11B2SLC2A1KDR
SCHEMBL13912438 0.79 SCN9A (0.49) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14626526 0.79 CYP11B2 (0.58) CYP19A1CYP11B1CYP11B2KDRMKNK1
SCHEMBL13044192 0.79 CYP11B1 (0.64) CYP19A1CYP11B1CYP11B2SLC2A1NR4A2
SCHEMBL3511516 0.79 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2SLC2A1NR4A2
SCHEMBL4509922 0.78 CYP11B2 (1.00) CYP19A1CYP11B1CYP11B2SLC2A1NR4A2
SCHEMBL13188366 0.78 CYP11B1 (0.67) CYP19A1CYP11B1CYP11B2SLC2A1NR4A2

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-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 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 (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-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 CYP19A1 3617/4885CYP11B1 963/4885CYP11B2 1033/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA CYP19A1 3347/4885CYP11B1 225/4885CYP11B2 296/4885

“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.