SCHEMBL5514859

SCHEMBL5514859

[CH2]Cc1ccc(-n2c(-c3cc[nH]n3)nc3cc(OC)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RPS6KA5 O75582 1/20 0.35
RPS6KB1 P23443 1/20 0.35
ROCK1 Q13464 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
DCTPP1 Q9H773 2/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL1625307 0.87 TAAR1 (0.41) TDP1ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL1624941 0.87 TDP1 (0.39) TDP1ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL1626194 0.87 ALDH1A1 (0.40) TDP1ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL3950882 0.82 SIRT2 (0.40) ALDH1A1SMN1; SMN2HSD17B10KDM4ENPC1
SCHEMBL7098256 0.77 THRB (0.38) TDP1ALDH1A1PIK3CDPIK3CAPOLB
SCHEMBL3950513 0.75 NOTUM (0.30)
SCHEMBL1625699 0.75 TP53 (0.39) ALDH1A1TP53HPGD
SCHEMBL1624614 0.71 TP53 (0.41) SMN1; SMN2HSD17B10TP53POLBHTT
SCHEMBL28752086 0.69 TP53 (0.42) SMN1; SMN2HSD17B10TP53POLBHTT
SCHEMBL2326932 0.67 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9APOLBHTT

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-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
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
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 (3 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 TDP1 4486/4885ALDH1A1 588/4885SMN1; SMN2 3880/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 TDP1 4244/4885ALDH1A1 1858/4885SMN1; SMN2 3726/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 TDP1 4478/4885ALDH1A1 632/4885SMN1; SMN2 3836/4885

“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.