SCHEMBL2787652

SCHEMBL2787652

N#Cc1ccc([C@@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.36
LSS P48449 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
OPRD1 P41143 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
AGER Q15109 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PHGDH O43175 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL2787655 1.00 CYP19A1 (0.36) CYP19A1LSSACSS2OPRD1TOP2A
SCHEMBL7666687 0.87 GRM5 (0.34) ACSS2TSHR
SCHEMBL2202154 0.87 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL2744999 0.84 SLC22A12 (0.34) CYP19A1ACSS2TOP2ATOP2BMEN1
SCHEMBL5688715 0.83 SIRT2 (0.40) CYP19A1CYP11B1CYP11B2
SCHEMBL2914446 0.83 HTT (0.36) CYP19A1ACSS2PHGDH
SCHEMBL8147915 0.82 FNTA (0.36) CYP19A1ACSS2
SCHEMBL8147914 0.82 FNTA (0.36) CYP19A1ACSS2
SCHEMBL845130 0.82 CYP11B1 (0.43) CYP19A1OPRD1MEN1KMT2ACYP11B1
SCHEMBL7191177 0.82 S1PR3 (0.35) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 US disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 US disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 EP disclosed
EP-1140942-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-10 EP disclosed
WO-2000039130-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2000-07-06 WO disclosed
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 CYP19A1 2162/4885LSS 176/4885ACSS2 216/4885

“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.