SCHEMBL4244673

SCHEMBL4244673

O=C(O)Cn1cc(I)ccc1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPT P10636 2/20 0.62
POLB P06746 1/20 0.62
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KMT2A Q03164 3/20 0.37
APEX1 P27695 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
STAT3 P40763 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TPMT P51580 1/20 0.34

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
SCHEMBL23520537 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL6654904 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL23520541 0.79 PLK1 (0.48) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL23520545 0.79 KDM4E (0.44) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL23520538 0.79 KDM4E (0.44) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL7478784 0.77 MAPT (0.62) ALDH1A1KDM4EMAPTPOLBCA9
SCHEMBL26111441 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL4893880 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTPOLBCSNK2A2
SCHEMBL4591133 0.77 KDM4E (1.00) ALDH1A1KDM4EMAPTPOLBKMT2A
SCHEMBL22114489 0.74 MAP2K1 (0.43) ALDH1A1KDM4EMAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050457-A1 Radiopaque cyanoacrylate compositions BioNexus, Inc. (US) 1982-04-28 EP claimed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 US disclosed
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
US-20090192592-A1 POROUS IMPLANT STRUCTURE CINVENTION AG (DE) 2009-07-30 US disclosed
US-20080249638-A1 BIODEGRADABLE THERAPEUTIC IMPLANT FOR BONE OR CARTILAGE REPAIR CINVENTION AG (DE) 2008-10-09 US disclosed
US-20080249637-A1 PARTIALLY BIODEGRADABLE THERAPEUTIC IMPLANT FOR BONE AND CARTILAGE REPAIR CINVENTION AG (DE) 2008-10-09 US disclosed
US-20080248086-A1 CURABLE THERAPEUTIC IMPLANT COMPOSITION CINVENTION AG (DE) 2008-10-09 US disclosed
US-20080200976-A1 CARBON STENTS CINVENTION AG (DE) 2008-08-21 US disclosed
US-20080195198-A1 DEGRADABLE POROUS IMPLANT STRUCTURE CINVENTION AG (DE) 2008-08-14 US disclosed
US-20080195196-A1 RESERVOIR IMPLANTS AND STENTS CINVENTION AG (DE) 2008-08-14 US disclosed
EP-0619716-B1 CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1998-08-05 EP disclosed
US-5733525-A Method of EII using a water insoluble particulate agent NYCOMED IMAGING AS (NO) 1998-03-31 US disclosed
US-5651955-A Method of electrical impedance imaging using ionic metal chelates NYCOMED IMAGING AS (NO) 1997-07-29 US disclosed
US-5639444-A Method of electrical impedance imaging using a triiodophenyl compound or gas encapsulated microbubbles NYCOMED IMAGING AS (NO) 1997-06-17 US disclosed
US-5346690-A Composition of a superparamagnetic or ferromagnetic particle and an X-ray contrast agent for MRI NYCOMED IMAGING AS (NO) 1994-09-13 US disclosed
EP-0414288-B1 Contrast media NYCOMED IMAGING AS (NO) 1994-03-23 EP disclosed
EP-0414287-B1 Particulate contrast media NYCOMED IMAGING AS (NO) 1994-01-19 EP disclosed
US-5242683-A Gastrointestinal tract, side effect reduction NYCOMED IMAGING AS (NO) 1993-09-07 US disclosed
EP-0414287-A1 Particulate contrast media NYCOMED IMAGING AS (NO) 1991-02-27 EP disclosed
EP-0414288-A1 Contrast media NYCOMED IMAGING AS (NO) 1991-02-27 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 (1 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-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST ALDH1A1 2728/4885KDM4E 3689/4885MAPT 4452/4885

“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.