SCHEMBL3243704

SCHEMBL3243704

CSc1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 6/20 0.55
RAB9A P51151 5/20 0.55
HPGD P15428 4/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HTR7 P34969 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
IDO1 P14902 1/20 0.43
KCNN4 O15554 1/20 0.43
NPC1 O15118 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NISCH Q9Y2I1 1/20 0.42
KMT2A Q03164 1/20 0.41
PTGS2 P35354 1/20 0.41
CASP3 P42574 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
SCHEMBL30478007 0.91 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL7411224 0.91 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL31087243 0.85 KDM4E (0.52) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL5890646 0.85 KDM4E (0.52) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL25905317 0.82 PTPRC (0.44) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL1786738 0.81 HTR7 (0.42) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL943905 0.81 HTR7 (0.42) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL942945 0.81 HTR7 (0.42) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL27460879 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL28300135 0.78 PDCD1 (0.50) ALDH1A1KDM4ERAB9AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO claimed
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 EP disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
US-6936632-B2 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2005-08-30 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
US-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof MERCKLE GMBH (DE) 2004-06-24 US disclosed
CN-1125044-C Novel prostaglandin synthase inhibitors DU PONT MERCK PHARMA (US) 2003-10-22 CN disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
US-6403630-B1 ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER CORNELL RESEARCH FOUNDATION, INC. 2002-06-11 US disclosed
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 EP disclosed
WO-2000044225-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/neu CORNELL RESEARCH FOUNDATION, INC. (US) 2000-08-03 WO disclosed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP disclosed
US-5932586-A ANTIINFLAMMATORY AGENTS; ANTIPYRETICS DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-03 US disclosed
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed
CN-1166167-A Novel prostaglandin synthase inhibitors DU PONT MERCK PHARMA (US) 1997-11-26 CN disclosed
EP-0783486-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-16 EP disclosed
US-5593994-A ANTIINFLAMMATORY AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-01-14 US disclosed
WO-1996010012-A1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-04-04 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-20040122002-A1 Fused pyrrole compounds, pharmaceutical agents containing the same, and the use thereof PTGS1, PTGS2, PTGER1 ALDH1A1 302/4885KDM4E 2340/4885RAB9A 3686/4885

“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.