SCHEMBL458550

SCHEMBL458550

COCCCNC(=O)CBr

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.48
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL458044 0.87
SCHEMBL26317574 0.83 TSHR (0.45) TSHRALDH1A1RECQLHPGDMEN1
SCHEMBL7602440 0.81 TSHR (0.70) TSHRALDH1A1KDM4ELMNARECQL
SCHEMBL29410430 0.81 TSHR (0.44) TSHRALDH1A1LMNARECQLHPGD
SCHEMBL21821634 0.81 TSHR (0.84) TSHRALDH1A1KDM4ELMNARECQL
SCHEMBL3821431 0.81 TSHR (0.70) TSHRALDH1A1KDM4ELMNARECQL
SCHEMBL14253421 0.81 TSHR (0.70) TSHRALDH1A1KDM4ELMNARECQL
SCHEMBL29410429 0.81 TSHR (0.44) TSHRALDH1A1LMNARECQLHPGD
SCHEMBL20197917 0.80 KDM4E (0.46) TSHRALDH1A1KDM4EHPGDMEN1
SCHEMBL21748011 0.80 KDM4E (0.46) TSHRALDH1A1KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013103780-A1 COMPOSITIONS AND METHODS TO BOOST ENDOGENOUS ROS PRODUCTION FROM BACTERIA TRUSTEES OF BOSTON UNIVERSITY (US) 2013-07-11 WO claimed
US-20090324682-A1 Medical stent provided with inhibitors of atp synthesis INTERSTITIAL THERAPEUTICS (CH) 2009-12-31 US claimed
EP-1789030-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
EP-1789107-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP claimed
WO-2006024488-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024490-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024491-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
WO-2006024492-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO claimed
EP-4438734-A2 REPROGRAMMING OF CELLS TO A NEW FATE The Scripps Research Institute (US) 2024-10-02 EP disclosed
EP-3399026-B1 REPROGRAMMING OF CELLS TO A NEW FATE SCRIPPS RESEARCH INST (US) 2024-06-26 EP disclosed
US-20220280460-A1 METHODS AND COMPOSITIONS FOR STIMULATING EXOSOME SECRETION UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-09-08 US disclosed
US-20210189348-A1 REPROGRAMMING OF CELLS TO A NEW FATE THE SCRIPPS RESEARCH INSTITUTE 2021-06-24 US disclosed
WO-2021040999-A1 METHODS AND COMPOSITIONS FOR STIMULATING EXOSOME SECRETION UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-03-04 WO disclosed
US-10934528-B2 Reprogramming of cells to a new fate THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-02 US disclosed
EP-1789030-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP disclosed
EP-1789107-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS Interstitial Therapeutics (CH) 2007-05-30 EP disclosed
WO-2006024488-A2 MEDICAL STENT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024491-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024490-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CELL PROLIFERATION INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 WO disclosed
WO-2006024492-A2 MEDICAL IMPLANT PROVIDED WITH INHIBITORS OF ATP SYNTHESIS INTERSTITIAL THERAPEUTICS (CH) 2006-03-09 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-20090324682-A1 Medical stent provided with inhibitors of atp synthesis ATP5ME, ATP5F1A, ATP5MG TSHR 4349/4885ALDH1A1 3199/4885KDM4E 4446/4885
US-10934528-B2 Reprogramming of cells to a new fate ALPG, POU5F1, POU2F1 TSHR 3521/4885ALDH1A1 2103/4885KDM4E 402/4885
US-20210189348-A1 REPROGRAMMING OF CELLS TO A NEW FATE ALPG, POU5F1, POU2F1 TSHR 3521/4885ALDH1A1 2103/4885KDM4E 402/4885

“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.