SCHEMBL6786345

SCHEMBL6786345

Fc1ccc(-c2ccc(OC3CCNCC3)nc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.66
DGAT1 O75907 3/20 0.45
PAICS P22234 1/20 0.44
ADORA2A P29274 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MAPK14 Q16539 1/20 0.41
HRH1 P35367 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DYRK1A Q13627 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BCL9 O00512 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
SCHEMBL4109210 0.88 TDO2 (0.61) TDO2DGAT1PAICSALOX5APFEN1
Hydrochloric Acid SCHEMBL2779290 0.86 TDO2 (0.60) TDO2DGAT1PAICSALOX5APFEN1
SCHEMBL16990268 0.80 TDO2 (1.00) TDO2PIM1PIM3PIM2
SCHEMBL28671432 0.79 TDO2 (0.52) TDO2HTR1ASLC6A2
SCHEMBL18077122 0.79 TDO2 (0.52) TDO2HTR1ASLC6A2
SCHEMBL18076994 0.79 TDO2 (0.52) TDO2HTR1ASLC6A2
SCHEMBL7464016 0.78 PAICS (0.48) TDO2PAICSHRH1MKNK1MKNK2
SCHEMBL14431595 0.78 HRH1 (0.59) TDO2HTR1ASLC6A2SLC6A3HRH1
SCHEMBL18318561 0.76 PRKCZ (0.50) TDO2DGAT1PAICSADORA2AKCNH2
SCHEMBL31277351 0.76 TDO2 (0.47) TDO2DGAT1ADORA2AKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266764-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT 2004-12-30 US disclosed
US-6809100-B2 2-(4-(4-FURAN-2-YLPHENYL)PIPERAZINE-1-SULFONYLMETHYL)-N-HYDROXY -3-METHYLBUTYRAMIDE, FOR EXAMPLE; TREATMENT OF CANCER, INFLAMMATION, OR AN AUTOIMMUNE, INFECTIOUS OR OCULAR DISEASE DARWIN DISCOVERY LTD. (GB) 2004-10-26 US disclosed
US-6787536-B2 A HYDROXAMIC ACID COMPOUND CONTAINING HETEROAROMATIC RING ATTACHED TO SULFONYL GROUP THROUGH NITROGEN ATOM, INHIBITOR OF MATRIX METALLOPRETEINASE, USEFUL FOR TREATING DEGENERATIVE DISEASES AND CERTAIN CANCER DARWIN DISCOVERY LIMITED (GB) 2004-09-07 US disclosed
US-20030216404-A1 Hydroxamic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-11-20 US disclosed
EP-1282614-B1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-11-12 EP disclosed
EP-1282614-A1 HYDROXAMIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2003-02-12 EP disclosed
US-20020037900-A1 Hydroxamic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-03-28 US disclosed
WO-2001087870-A1 HYDROXAMIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2001-11-22 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-20020037900-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 TDO2 1360/4885DGAT1 538/4885PAICS 2955/4885
US-20030216404-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 TDO2 1360/4885DGAT1 538/4885PAICS 2955/4885
US-20040266764-A1 Hydroxamic acid derivatives ADAM17, ADAM10, ADAM33 TDO2 1360/4885DGAT1 538/4885PAICS 2955/4885

“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.