SCHEMBL1043372

SCHEMBL1043372

Cc1ccc2c(c1)nc(C(NC(=O)OC(C)(C)C)C(C)C)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
BRD4 O60885 1/20 0.44
TSHR P16473 2/20 0.44
TRPC5 Q9UL62 1/20 0.43
GNRHR P30968 2/20 0.42
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
FPR1 P21462 1/20 0.40
KIF11 P52732 1/20 0.40
ALOX5AP P20292 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL12391808 1.00 GAA (0.48) GAABRD4TSHRTRPC5GNRHR
SCHEMBL12391820 0.90 GNRHR (0.42) GAABRD4GNRHRPPARGFPR1
SCHEMBL1043674 0.90 GNRHR (0.42) GAABRD4GNRHRPPARGFPR1
SCHEMBL3235885 0.89 GAA (0.53) GAATSHRMAPTFPR1ALOX5AP
SCHEMBL3493003 0.89 GAA (0.53) GAATSHRMAPTFPR1ALOX5AP
SCHEMBL13941142 0.88 TSHR (0.60) GAATSHRMAPT
SCHEMBL1039715 0.87 HDAC1 (0.44) GAABRD4TSHRGNRHRPPARG
SCHEMBL12391819 0.87 HDAC1 (0.44) GAABRD4TSHRGNRHRPPARG
SCHEMBL1043987 0.87 USP2 (0.43) GAABRD4TSHRGNRHRPPARG
SCHEMBL12391823 0.87 USP2 (0.43) GAABRD4TSHRGNRHRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008335-B2 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-30 US disclosed
EP-2275412-A1 Indole and benzimidazole derivatives Novartis Vaccines and Diagnostics, Inc. (US) 2011-01-19 EP disclosed
US-7662581-B1 Eg5 co-crystals NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-02-16 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
EP-1807399-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES Novartis Vaccines and Diagnostics, Inc. (US) 2007-07-18 EP disclosed
WO-2006049835-A2 INDOLE AND BENZIMIDAZOLE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-05-11 WO disclosed
US-20060084687-A1 Indole and benzimidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-04-20 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-20060084687-A1 Indole and benzimidazole derivatives IDO1, IDO2, AADAC GAA 1193/4885BRD4 97/4885TSHR 2311/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC GAA 1193/4885BRD4 97/4885TSHR 2311/4885

“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.