SCHEMBL652047

SCHEMBL652047

NC(=O)c1cccc(I)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDPK1 O15530 1/20 0.46
METAP2 P50579 1/20 0.43
PARP1 P09874 5/20 0.43
GAA P10253 1/20 0.42
BCAT2 O15382 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
AURKA O14965 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 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
SCHEMBL7161047 0.83 PARP1 (0.44) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL8813905 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL967996 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL7466281 0.80 MMP2 (0.45) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL12635358 0.80 KDM4E (0.61) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL31493861 0.80 KDM4E (0.61) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL2685882 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL11768320 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL608549 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL3069325 0.79 MAPT (0.38) ALDH1A1KDM4EMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4279887-A RADIOACTIVE SCANNING MEDI-PHYSICS, INC. (US) 1981-07-21 US claimed
CN-122094719-A System with improved hydrogel formation time 2026-05-26 CN disclosed
US-20250128220-A1 SYSTEMS WITH IMPROVED HYDROGEL FORMATION TIMES BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-04-24 US disclosed
WO-2025085642-A1 SYSTEMS WITH IMPROVED HYDROGEL FORMATION TIMES BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-04-24 WO disclosed
US-9662059-B2 Imaging agents for monitoring changes of dopamine receptors and methods of using thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-30 US disclosed
EP-2013196-B1 DISUBSTITUTED ANILINE COMPOUNDS MERCK SHARP & DOHME (US) 2015-09-16 EP disclosed
US-8877943-B2 Radiotracer precursor and method for preparing the same Atomic Energy Council-Institute of Nuclear Eenergy Research (TW) 2014-11-04 US disclosed
US-20140073803-A1 RADIOTRACER PRECURSOR AND METHOD FOR PREPARING THE SAME ATOMIC ENERGY COUNCIL - INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2014-03-13 US disclosed
US-8119685-B2 Disubstituted aniline compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20090221669-A1 Disubstituted Aniline Compounds MERCK SHARP & DOHME LLC 2009-09-03 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-7125903-B1 Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2006-10-24 US disclosed
US-7091199-B1 Thienoisoxazole phenoxy unsubstituted ethyl and propyl derivatives useful as d4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2006-08-15 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
WO-2005000250-A2 IMAGING AGENTS AND METHODS OF IMAGING ALPHA 7-NICOTINIC CHOLINERGIC RECEPTOR JOHNS HOPKINS UNIVERSITY (US) 2005-01-06 WO disclosed
EP-1216249-B1 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP disclosed
EP-1216250-B1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP disclosed
EP-0617892-A1 A veterinary medicament for preventive treatment and therapy of cattle against parasites HAK PHARMA B.V. (NL) 1994-10-05 EP disclosed
US-4279887-A RADIOACTIVE SCANNING MEDI-PHYSICS, INC. (US) 1981-07-21 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 (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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 ALDH1A1 895/4885KDM4E 710/4885MAPT 347/4885
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 ALDH1A1 961/4885KDM4E 986/4885MAPT 391/4885
US-20090221669-A1 Disubstituted Aniline Compounds TXNRD2, BRDT, HDAC1 ALDH1A1 744/4885KDM4E 500/4885MAPT 819/4885
US-20140073803-A1 RADIOTRACER PRECURSOR AND METHOD FOR PREPARING THE SAME SLC6A3, DBH, BRS3 ALDH1A1 3265/4885KDM4E 4571/4885MAPT 1088/4885

“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.