SCHEMBL1625595

SCHEMBL1625595

CC(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
SCHEMBL1625876 1.00 MEN1 (0.56) MEN1KMT2ATSHRLOXL2ALDH1A1
SCHEMBL1625885 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217917-A1 PHOTOLYTICALLY DEGRADABLE COMPOUNDS AND METHODS THE UNIVERSITY OF STAVANGER (NO) 2024-07-04 US disclosed
EP-2934594-B1 CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . ALMIRALL SA (ES) 2019-09-04 EP disclosed
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
EP-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
US-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2015-11-19 US disclosed
EP-2934594-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY Almirall, S.A. (ES) 2015-10-28 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
WO-2014095920-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2014-06-26 WO 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
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
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
EP-0647133-A4 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY. AFFYMAX TECH NV (AN) 1997-10-29 EP disclosed
US-5607691-A IONTOPHORESIS AFFYMAX TECHNOLOGIES N.V. (GB) 1997-03-04 US disclosed
EP-0647133-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1995-04-12 EP disclosed
WO-1993025197-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1993-12-23 WO disclosed
CN-86102923-A The method for preparing antibiotic derivatives 1986-11-12 CN 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-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY CHRM3, CHRM2, ADRB2 MEN1 3031/4885KMT2A 984/4885TSHR 225/4885
US-20240217917-A1 PHOTOLYTICALLY DEGRADABLE COMPOUNDS AND METHODS DDT, DDC, CTRC MEN1 2480/4885KMT2A 2563/4885TSHR 2972/4885
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-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.