SCHEMBL4748374

SCHEMBL4748374

Cc1c(N)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
PDE7A Q13946 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
CCR6 P51684 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4748223 0.86 TDP1 (0.54) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL29579039 0.81 PDGFRB (0.43) TSHRALDH1A1CYP3A4CYP1A2TDP1
SCHEMBL259813 0.80 TSHR (0.60) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL629679 0.80 TSHR (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL30829764 0.80 TDP1 (0.53) TSHRALDH1A1CYP3A4CYP1A2TDP1
SCHEMBL7787972 0.80 ALDH1A1 (0.59) TSHRPDE7AALDH1A1CYP3A4TDP1
SCHEMBL3460888 0.80 TDP1 (0.53) TSHRALDH1A1CYP3A4CYP1A2TDP1
SCHEMBL10685212 0.80 CYP1A2 (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL1330407 0.80 TSHR (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL938651 0.78 GPR35 (0.61) TSHRALDH1A1CYP3A4CYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702399-B2 Quinazolinone derivative, preparation method therefor, pharmaceutical composition, and applications KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-07-18 US disclosed
EP-2874621-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
EP-2874621-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
US-9511052-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-12-06 US disclosed
US-9511052-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-12-06 US disclosed
US-9511052-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-12-06 US disclosed
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-07-02 US disclosed
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-07-02 US disclosed
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-07-02 US disclosed
EP-2874621-A2 MINERALOCORTICOID RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-05-27 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO disclosed
WO-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO disclosed
US-6423724-B1 PREVENTION, THERAPY DISEASE THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
US-5916900-A TREATMENT OF NASAL CONGESTION, ASTHMA, COUGH, CARDIOVASCULAR DISORDERS, OCULAR DISORDERS, GASTROINTESTINAL DISORDERS, MIGRAINES, SUSBSTANCE ABUSE THE PROCTER & GAMBLE COMPANY (US) 1999-06-29 US disclosed
US-5716966-A RESPIRATORY SYSTEM DISORDERS; VISION DEFECTS; GASTROINTESTINAL DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-10 US disclosed
US-5576437-A 7-(2-imidazolnylamino) quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-19 US disclosed
EP-0734261-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995020386-A1 7-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-08-03 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 (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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 TSHR 770/4885PDE7A 767/4885ALDH1A1 2165/4885
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, REN TSHR 297/4885PDE7A 405/4885ALDH1A1 519/4885
US-11702399-B2 Quinazolinone derivative, preparation method therefor, pharmaceutical composition, and applications CYP4F11, WEE1, CYP51A1 TSHR 4393/4885PDE7A 594/4885ALDH1A1 651/4885

“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.