SCHEMBL1856683

SCHEMBL1856683

CC(=O)N(CC(O)CO)c1c(I)c(C(N)=O)c(I)c(C(=O)N(CC(O)CO)CC(O)CO)c1I

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
LMNA P02545 3/20 0.57
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9194250 0.93 CYP2C19 (0.56) CYP2C19HIF1ALMNACYP2C9
SCHEMBL9194273 0.89 CYP2C19 (0.51) CYP2C19HIF1ALMNA
SCHEMBL9734504 0.88 CYP2C19 (0.46) CYP2C19HIF1ALMNA
SCHEMBL9736246 0.87 CYP2C19 (0.45) CYP2C19HIF1ALMNA
SCHEMBL9563087 0.87 CYP2C19 (0.63) CYP2C19HIF1ALMNACYP2C9
SCHEMBL8380649 0.82 CYP2C19 (0.41) CYP2C19HIF1ALMNA
SCHEMBL9735199 0.82 CYP2C19 (0.42) CYP2C19HIF1ALMNA
SCHEMBL3425136 0.82 LMNA (0.63) CYP2C19HIF1ALMNACYP2C9
SCHEMBL5553113 0.81 CYP2C19 (0.91) CYP2C19HIF1ALMNACYP2C9
SCHEMBL9548440 0.81 CYP2C19 (0.40) CYP2C19HIF1ALMNA

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
WO-2022106715-A1 PROCEDURE FOR OBTAINING HIGH PURITY IOHEXOL JUSTESA IMAGEN S.A.U. (ES) 2022-05-27 WO claimed
WO-2012097315-A1 METHOD AND SYSTEM FOR EVALUATING HEMODYNAMICS OF A BLOOD VESSEL BAYLOR COLLEGE OF MEDICINE (US) 2012-07-19 WO claimed
WO-2022106715-A1 PROCEDURE FOR OBTAINING HIGH PURITY IOHEXOL JUSTESA IMAGEN S.A.U. (ES) 2022-05-27 WO disclosed
US-11217435-B2 Tuned synthetic dendrimer calibrants for mass spectrometry THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2022-01-04 US disclosed
US-20200090917-A1 TUNED SYNTHETIC DENDRIMER CALIBRANTS FOR MASS SPECTROMETRY THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2020-03-19 US disclosed
US-10347476-B2 Tuned synthetic dendrimer calibrants for mass spectrometry THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2019-07-09 US disclosed
WO-2017165841-A1 IODINE-BASED PARTICLES NANOPROBES, INC. (US) 2017-09-28 WO disclosed
EP-3047271-A1 METHODS FOR PHENOTYPING OF INTACT WHOLE TISSUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-07-27 EP disclosed
US-9186422-B2 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS LLC (US) 2015-11-17 US disclosed
US-20150132854-A1 Tuned Synthetic Dendrimer Calibrants for Mass Spectrometry THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2015-05-14 US disclosed
WO-2015041755-A1 METHODS FOR PHENOTYPING OF INTACT WHOLE TISSUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-26 WO disclosed
US-20100290995-A1 RADIO-OPAQUE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF THEIR SYNTHESIS AND USE PATHAK HOLDINGS LLC 2010-11-18 US disclosed
US-7790141-B2 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS, LLC (US) 2010-09-07 US disclosed
EP-1748807-A2 METHOD AND APPARATUS FOR DIRECT MECHANICAL VENTRICULAR ACTUATION WITH FAVORABLE CONDITIONING AND MINIMAL HEART STRESS Advanced Resuscitation, LLC (US) 2007-02-07 EP disclosed
EP-1644060-A2 SENSOR-EQUIPPED AND ALGORITHM-CONTROLLED DIRECT MECHANICAL VENTRICULAR ASSIST DEVICE Advanced Resuscitation, LLC (US) 2006-04-12 EP disclosed
WO-2005091860-A2 METHOD AND APPARATUS FOR DIRECT MECHANICAL VENTRICULAR ACTUATION WITH FAVORABLE CONDITIONING AND MINIMAL HEART STRESS ADVANCED RESUSCITATION, LLC. (US) 2005-10-06 WO disclosed
US-20050036946-A1 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PATHAK HOLDINGS, LLC 2005-02-17 US disclosed
WO-2005000160-A2 SENSOR-EQUIPPED AND ALGORITHM-CONTROLLED DIRECT MECHANICAL VENTRICULAR ASSIST DEVICE ADVANCED RESUSCITATION, LLC (US) 2005-01-06 WO disclosed
US-4396597-A Process for the preparation of a sterile injectable physiologically acceptable solution of an X-ray contrast agent and solutions of the X-ray contrast agent and a buffer NYEGAARD & CO. A/S (NO) 1983-08-02 US disclosed
US-4278654-A Process for the preparation of a sterile injectable physiologically acceptable solution of an X-ray contrast agent and solutions of the X-ray contrast agent and a buffer NYEGAARD & CO. A/S (NO) 1981-07-14 US 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-11217435-B2 Tuned synthetic dendrimer calibrants for mass spectrometry SRMS, SRM, DNMT1 CYP2C19 4567/4885HIF1A 3855/4885LMNA 2006/4885
US-10347476-B2 Tuned synthetic dendrimer calibrants for mass spectrometry SRMS, SRM, DNMT1 CYP2C19 4626/4885HIF1A 3765/4885LMNA 2090/4885
US-20100290995-A1 RADIO-OPAQUE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF THEIR SYNTHESIS AND USE PLOD3, IK, SON CYP2C19 2605/4885HIF1A 2396/4885LMNA 719/4885
US-20050036946-A1 Radio-opaque compounds, compositions containing same and methods of their synthesis and use PLOD3, IK, SON CYP2C19 2605/4885HIF1A 2396/4885LMNA 719/4885
US-20200090917-A1 TUNED SYNTHETIC DENDRIMER CALIBRANTS FOR MASS SPECTROMETRY SRMS, SRM, DNMT1 CYP2C19 4567/4885HIF1A 3855/4885LMNA 2006/4885

“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.