SCHEMBL2051630

SCHEMBL2051630

O=C(O)Cc1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.80
LMNA P02545 3/20 0.80
POLB P06746 2/20 0.62
CDC25A P30304 1/20 0.60
USP2 O75604 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNA7 P36544 1/20 0.58
CHRNA4 P43681 1/20 0.58
CYP19A1 P11511 1/20 0.58
PLA2G2A P14555 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
HTR6 P50406 1/20 0.57
ADORA1 P30542 1/20 0.57
PLK1 P53350 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL7698481 0.91 LMNA (0.77) ALDH1A1LMNAPOLBCDC25AUSP2
SCHEMBL1233547 0.90 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCDC25AHDAC1
SCHEMBL4548571 0.90 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCDC25AUSP2
SCHEMBL27794777 0.90 LMNA (0.67) ALDH1A1LMNAPOLBUSP2HSD17B10
SCHEMBL6893171 0.89 LMNA (1.00) ALDH1A1LMNAPOLBCDC25AUSP2
SCHEMBL8289938 0.88 PLA2G2A (0.74) ALDH1A1LMNAPOLBPLA2G2ASMN1; SMN2
SCHEMBL13931026 0.88 ALDH1A1 (0.65) ALDH1A1LMNAPOLBCDC25AHDAC1
SCHEMBL13930959 0.87 LMNA (0.74) ALDH1A1LMNACDC25ACHRNB2CHRNA7
SCHEMBL4262388 0.87 ALDH1A1 (0.67) ALDH1A1LMNAPOLBCDC25AUSP2
SCHEMBL7692305 0.87 CHRM1 (0.65) ALDH1A1LMNAPOLBCDC25AHDAC6

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO claimed
US-7964738-B2 Pharmaceutical compositions and methods of use of lipophilic, silicon-substituted, cyclooxygenase-2 selective non-steroidal anti-inflammatory drugs and derivatives SILAMED, INC. (US) 2011-06-21 US disclosed
WO-2010083501-A2 ALPHA-HELIX MIMETIC USING A 2,5-OLIGOPYRIMIDINE SCAFFOLD UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 WO disclosed
EP-2101736-A2 HOMOGENEOUS PASTE AND GEL FORMULATIONS Merial Limited (US) 2009-09-23 EP disclosed
CN-100420672-C Selective COX-2 inhibitory novel esters from indolealkanols and novel amides from indolealkylamines UNIV VANDERBILT (US) 2008-09-24 CN disclosed
WO-2008077130-A2 HOMOGENEOUS PASTE AND GEL FORMULATIONS MERIAL LIMITED (US) 2008-06-26 WO disclosed
US-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 US disclosed
EP-1225882-B1 SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES UNIV VANDERBILT (US) 2007-10-17 EP disclosed
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES RND PHARMACEUTICALS, INC. (US) 2007-06-07 US disclosed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO disclosed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed
CN-1141627-A Indole derivatives for the treatment of estrogen-related tumors and diseases MERRELL DOW PHARMA (US) 1997-01-29 CN disclosed
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
US-5510368-A INHIBITORS OF CYCLOOXYGENASE MERCK FROSST CANADA, INC. (CA) 1996-04-23 US disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 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-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 ALDH1A1 1981/4885LMNA 1258/4885POLB 940/4885
US-20070129331-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF LIPOPHILIC, SILICON-SUBSTITUTED, CYCLOOXYGENASE-2 SELECTIVE NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND DERIVATIVES PTGES2, PTGS2, SI ALDH1A1 2639/4885LMNA 3383/4885POLB 2634/4885

“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.