SCHEMBL997299

SCHEMBL997299

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 2/20 0.48
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.47
MITF O75030 1/20 0.47
MC4R P32245 1/20 0.47
HPD P32754 3/20 0.47
AKR1B1 P15121 2/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 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
SCHEMBL6487344 1.00 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29500840 0.88 CYP1A2 (0.51) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10680778 0.87 CYP1A2 (0.58) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL28321274 0.87 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10511895 0.87 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10511891 0.87 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2977227 0.87 HPD (0.52) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27956759 0.85 ALDH1A1 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL22688204 0.85 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTCYP2C19HPGD
SCHEMBL5292681 0.84 MEN1 (0.51) CYP1A2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002368-A1 STING ANTAGONISTS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2024-01-04 US disclosed
CN-111484417-B Preparation method of halofantrine hydrochloride 新发药业有限公司 2022-05-17 CN disclosed
CN-111484417-A Preparation method of halofantrine hydrochloride 新发药业有限公司 2020-08-04 CN disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
WO-2013093928-A1 AN IMPROVED PROCESS FOR PREPARING 2-OXINDOLES OF FORMULA I, A KEY RAW MATERIAL FOR MAKING PHARMACEUTICAL DRUGS AND INTERMEDIATES THEREOF ARCH PHARMALABS LIMITED (IN) 2013-06-27 WO disclosed
EP-2451783-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT University Of Kansas (US) 2012-05-16 EP disclosed
WO-2011005759-A2 LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT UNIVERSITY OF KANSAS (US) 2011-01-13 WO disclosed
US-20100063301-A1 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS LIGAND PHARMACEUTICALS INC (US) 2010-03-11 US disclosed
CN-101437792-A Synthesis of thrombopoietin activity modulating compounds LIGAND PHARM INC (US) 2009-05-20 CN disclosed
CN-1177347-A Process for preparing 2 -oxindoles and N -hydroxy -2 -oxindoles CATALYTICA INC (US) 1998-03-25 CN disclosed
US-5711966-A REPLACEMENT OF HALOFANTRINE AVOIDS CARDIAC ARRHYTHMIAS ARMY MEDICAL RESEARCH & MATERIEL COMMAND, GOVERNMENT OF THE UNITED STATES, U.S. 1998-01-27 US disclosed
EP-0809631-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1997-12-03 EP disclosed
US-5688955-A ANALGESICS ADOLOR CORPORATION (US) 1997-11-18 US disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed
WO-1997032857-A1 KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF ADOLOR CORPORATION (US) 1997-09-12 WO disclosed
WO-1997007792-A1 DESBUTYLHALOFANTRINE COMPOSITIONS AND USE DEPARTMENT OF THE ARMY, US GOVERNMENT (US) 1997-03-06 WO disclosed
WO-1996023770-A1 PROCESS FOR PREPARING 2-OXINDOLES AND N-HYDROXY-2-OXINDOLES CATALYTICA, INC. (US) 1996-08-08 WO disclosed
EP-0162776-B1 HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM LABORATOIRES UPSA (FR) 1989-04-19 EP disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 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 (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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 CYP1A2 1439/4885ALDH1A1 3170/4885MAPT 3811/4885
US-20100063301-A1 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS MPL, THPO, TBXAS1 CYP1A2 3803/4885ALDH1A1 3289/4885MAPT 4801/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 CYP1A2 1241/4885ALDH1A1 3118/4885MAPT 3667/4885
US-20240002368-A1 STING ANTAGONISTS AND USES THEREOF STING1, TBK1, CGAS CYP1A2 4632/4885ALDH1A1 4807/4885MAPT 1002/4885

“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.