SCHEMBL27126

SCHEMBL27126

CC(Cl)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
GAA P10253 2/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 4/20 0.47
PKM P14618 1/20 0.47
MGLL Q99685 2/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2235376 0.88 HTR2A (0.52) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL1059539 0.87 HTR2A (0.60) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL23922815 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL21097121 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL21098059 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL2233306 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL11423467 0.84 GAA (0.50) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL1242235 0.84 HTR2A (0.54) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL30871778 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1
SCHEMBL15459741 0.83 HTR2A (0.53) HTR2AGAABCL9CTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-24 US claimed
WO-2010063002-A2 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-06-03 WO claimed
WO-2025080879-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 WO disclosed
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 US disclosed
US-20240300894-A1 PRODRUGS OF KV7 CHANNEL OPENERS CHATHAM BIOPHARMA CONSULTING, LLC 2024-09-12 US disclosed
CN-118561872-A Pyrimido-pyridine biological inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-30 CN disclosed
US-20240228434-A1 PRODRUGS OF KV7 CHANNEL OPENERS CHATHAM BIOPHARMA CONSULTING, LLC 2024-07-11 US disclosed
US-20240208896-A1 PRODRUGS OF KV7 CHANNEL OPENERS CHATHAM BIOPHARMA CONSULTING, LLC 2024-06-27 US disclosed
WO-2024125642-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-06-20 WO disclosed
CN-117940436-A 7- (Naphthalene-1-yl) pyrido [4,3-d ] pyrimidine derivative and preparation and application thereof 上海和誉生物医药科技有限公司 2024-04-26 CN disclosed
WO-2024050516-A2 VARENICLINE RELATED COMPOUNDS AND METHODS FOR TREATING DISEASES AND CONDITIONS INCLUDING TOBACCO USE DISORDER SPACERX LLC (US) 2024-03-07 WO disclosed
US-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5744465-A Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1998-04-28 US disclosed
WO-1997015556-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1997-05-01 WO disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
EP-0617036-A2 Novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1994-09-28 EP disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 EP 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 (5 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-20240300894-A1 PRODRUGS OF KV7 CHANNEL OPENERS KCNA7, KCNB1, KCNB2 HTR2A 2752/4885GAA 2961/4885BCL9 4125/4885
US-20100160665-A1 PROCESSES FOR THE PREPARATION AND PURIFICATION OF GABAPENTIN ENACARBIL ADH1C, CNR1, GABRG1 HTR2A 3951/4885GAA 3240/4885BCL9 2017/4885
US-20240208896-A1 PRODRUGS OF KV7 CHANNEL OPENERS KCNA7, KCNB1, KCNB2 HTR2A 2752/4885GAA 2961/4885BCL9 4125/4885
US-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD HTR2A 4349/4885GAA 1265/4885BCL9 366/4885
US-20240228434-A1 PRODRUGS OF KV7 CHANNEL OPENERS KCNA7, KCNB1, KCNB2 HTR2A 2752/4885GAA 2961/4885BCL9 4125/4885

“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.