SCHEMBL1625876

SCHEMBL1625876

C[C@H](O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.47
IDO1 P14902 3/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL1625885 1.00 MEN1 (0.56) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL1625595 1.00 MEN1 (0.56) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL8815966 0.92 KMT2A (0.57) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL28906676 0.85 TSHR (0.50) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL19342847 0.85 KMT2A (0.50) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL1023274 0.84 TSHR (0.57) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL5715396 0.84 LOXL2 (0.55) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL27579834 0.83 KMT2A (0.52) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL10621456 0.81 LMNA (0.50) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL10695276 0.81 TSHR (0.59) MEN1KMT2ATSHRLOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225616-A1 ALPHA-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US disclosed
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
US-7928119-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2011-04-19 US disclosed
CN-101967146-A Ep4 receptor inhibitors to treat rheumatoid arthritis PRIZER JAPAN INC 2011-02-09 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
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-7148234-B2 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PFIZER INC. (US) 2006-12-12 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
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
CN-1476448-A Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ������ҩ�����޹�˾ 2004-02-18 CN disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 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 (6 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 MEN1 3912/4885KMT2A 2917/4885TSHR 4596/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 MEN1 4475/4885KMT2A 4355/4885TSHR 518/4885
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 MEN1 782/4885KMT2A 2991/4885TSHR 3268/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 MEN1 4475/4885KMT2A 4355/4885TSHR 518/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES MEN1 2777/4885KMT2A 3274/4885TSHR 3355/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 MEN1 4826/4885KMT2A 3764/4885TSHR 351/4885

“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.