SCHEMBL6320217

SCHEMBL6320217

OC(CCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRK1 P41145 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
BCL2 P10415 1/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL6326374 0.84 SMN1; SMN2 (0.46) SMN1; SMN2SIGMAR1MEN1KMT2AOPRK1
SCHEMBL7024973 0.84 MEN1 (0.48) SMN1; SMN2SIGMAR1MEN1KMT2AOPRK1
SCHEMBL6320470 0.81 CALM1 (0.47) SMN1; SMN2SIGMAR1MEN1KMT2AOPRK1
SCHEMBL7608480 0.80 L3MBTL1 (0.52) SMN1; SMN2BCL2
SCHEMBL11125959 0.77 SMN1; SMN2 (0.57) SMN1; SMN2SIGMAR1MEN1KMT2AOPRK1
SCHEMBL7148205 0.75 MEN1 (0.48) SMN1; SMN2SIGMAR1MEN1KMT2AOPRK1
SCHEMBL19700321 0.73 PYCR1 (0.55) MEN1KMT2AHTTPYCR1
SCHEMBL28827443 0.73 CYP2C9 (0.54) SMN1; SMN2MEN1KMT2AHTT
SCHEMBL6621416 0.73 FNTA (0.54) MEN1KMT2AOPRK1PYCR1OPRM1
SCHEMBL15269721 0.73 MEN1 (0.44) SIGMAR1MEN1KMT2AOPRK1HDAC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases ROCKEFELLER UNIVERSITY, THE 2005-12-29 US disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed
US-6080766-A ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF A HYDROXYPYRROLIDONE COMPOUND TO SUPPRESS THE FORMATION OF COLLAGEN-LIKE SUBSTANCES OR BIOSYNTHESIS OF PROCOLLAGEN CORNELL RESEARCH FOUNDATION, INC. (US) 2000-06-27 US disclosed
US-6046219-A ADMINISTERING TO THE PATIENT FOR TREATING THE CONDITIONS MEDIATED BY COLLAGEN FORMATION TOGETHER WITH CELL PROLIFERATION A HYDROXYPYRIDINE DERIVATIVE CORNELL RESEARCH FOUNDATION, INC. (US) 2000-04-04 US disclosed
US-5965585-A SUPPRESSING FORMATION OF COLLAGEN AND COLLAGEN-LIKE SUBSTANCES OR BIOSYNTHESIS OF PROCOLLAGEN IN LIVING SYSTEMS BY ADMINISTERING A HYDROXYPYRIDONE COMPOUND ENZYME INHIBITOR OF PROTEIN HYDROXYLASE; ANTISCARRING AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-12 US disclosed
US-5965586-A Method for the treatment of fibroproliferative disorders by application of inhibitors of protein hydroxylation CORNELL RESEARCH FOUNDATION, INC. (US) 1999-10-12 US disclosed
US-5849587-A Method of inhibiting viral replication in eukaryotic cells and of inducing apoptosis of virally-infected cells CORNELL RESEARCH FOUNDATION, INC. (US) 1998-12-15 US disclosed
US-5789426-A SUPPRESSION FORMATION OF COLLAGEN CORNELL RESEARCH FOUNDATION, INC. (US) 1998-08-04 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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 1593/4885SIGMAR1 634/4885MEN1 3533/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 1281/4885SIGMAR1 465/4885MEN1 3327/4885
US-20050288187-A1 Inhibitor development for 4-hydroxyphenylpyruvate dioxygenase, employing tyrosinemia 1 as a model for human diseases mediated by 2-oxoacid utilizing dioxygenases HPD, TH, PDXK SMN1; SMN2 3995/4885SIGMAR1 4329/4885MEN1 3574/4885

“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.