SCHEMBL1039715

SCHEMBL1039715

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 3/20 0.44
GNRHR P30968 2/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.39
BRD4 O60885 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
FPR1 P21462 1/20 0.38
ALOX5AP P20292 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL12391819 1.00 HDAC1 (0.44) HDAC1HDAC8GNRHRGAAPPARG
SCHEMBL1043372 0.87 GAA (0.48) HDAC1GNRHRGAAPPARGBRD4
SCHEMBL12391808 0.87 GAA (0.48) HDAC1GNRHRGAAPPARGBRD4
SCHEMBL12391820 0.86 GNRHR (0.42) HDAC1HDAC8GNRHRGAAPPARG
SCHEMBL1043674 0.86 GNRHR (0.42) HDAC1HDAC8GNRHRGAAPPARG
SCHEMBL3235885 0.86 GAA (0.53) HDAC1GAAFPR1ALOX5APUSP2
SCHEMBL3493003 0.86 GAA (0.53) HDAC1GAAFPR1ALOX5APUSP2
SCHEMBL12391823 0.84 USP2 (0.43) HDAC1GNRHRGAAPPARGBRD4
SCHEMBL1043987 0.84 USP2 (0.43) HDAC1GNRHRGAAPPARGBRD4
SCHEMBL1039663 0.82 TSHR (0.42) HDAC1GNRHRGAAPPARGBRD4

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 7 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-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 HDAC1 121/4885HDAC8 171/4885GNRHR 2526/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC HDAC1 121/4885HDAC8 171/4885GNRHR 2526/4885

“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.