SCHEMBL6327682

SCHEMBL6327682

COC(=O)C(=O)c1c[nH]c2cc(CCNC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
IGF1R P08069 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 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
SCHEMBL6329841 0.89 GABRP (0.48) IGF1RL3MBTL1ROCK2ROCK1ALOX5
SCHEMBL14487868 0.81 GABRP (0.50) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL6327685 0.78 NR4A2 (0.39) ALDH1A1MAPTALOX5GABRPGABRD
SCHEMBL6030492 0.78 NR4A2 (0.52) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL10289734 0.77 MTNR1A (0.51) LMNANPC1MEN1KMT2AMAPT
SCHEMBL6327452 0.75 CYP4F2 (0.48) SMN1; SMN2ALOX5GABRPGABRDGABRA1
SCHEMBL31609244 0.74 CA2 (0.47) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL30937476 0.74 PIM1 (0.46) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8807001 0.74 TRPV1 (0.53) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6328558 0.74 NQO2 (0.47) LMNAIGF1RL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1250334-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044235-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 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 (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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 LMNA 1906/4885IGF1R 1297/4885NPC1 910/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 LMNA 1698/4885IGF1R 834/4885NPC1 865/4885

“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.