SCHEMBL3950874

SCHEMBL3950874

[CH2]Cc1ccc(-n2c(CC)nc3cc(CO)c(Cl)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RHEB Q15382 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
DCTPP1 Q9H773 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 1/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
CRBN Q96SW2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.31
NTRK1 P04629 1/20 0.31
NTRK2 Q16620 1/20 0.31
RPS6KA5 O75582 1/20 0.31

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
SCHEMBL3950716 0.88 DCTPP1 (0.40) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL3945022 0.86 DCTPP1 (0.37) ESR1ESR2MEN1KMT2ARHEB
SCHEMBL27582861 0.85 ESR1 (0.35) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL3949489 0.81 KMT2A (0.38) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL3949979 0.81 CNR2 (0.36) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL5777836 0.81 PGK1 (0.40) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL1627308 0.81 ESR1 (0.37) ESR1ESR2MEN1KMT2ARHEB
SCHEMBL3956735 0.80 ESR1 (0.36) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL3946397 0.79 CRBN (0.42) ESR1ESR2MEN1KMT2AAGTR1
SCHEMBL3951315 0.79 KMT2A (0.40) ESR1ESR2MEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100579518-C Use of EP4 receptor ligands for the manufacture of a medicament for the treatment of IL-6 related disorders PFIZER 2010-01-13 CN disclosed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
CN-101023946-A Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER (US) 2007-08-29 CN disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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 (4 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 ESR1 4356/4885ESR2 2513/4885MEN1 3912/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 ESR1 792/4885ESR2 161/4885MEN1 4475/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 ESR1 4364/4885ESR2 2560/4885MEN1 3934/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES ESR1 2442/4885ESR2 1340/4885MEN1 2777/4885

“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.