SCHEMBL10130604

SCHEMBL10130604

CC(C)CCCn1cnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.57
LMNA P02545 5/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 5/20 0.56
MAPT P10636 3/20 0.56
STAT3 P40763 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
EGLN3 Q9H6Z9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
APAF1 O14727 1/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL13723111 0.95 TDP1 (0.64) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9181106 0.94 TDP1 (0.62) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL1023745 0.90 TDP1 (0.70) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9320420 0.88 TDP1 (0.62) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL11959514 0.86 TDP1 (0.60) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9450146 0.84 TDP1 (0.62) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814242 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL3161153 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL30294105 0.84 TDP1 (0.84) TDP1SMN1; SMN2LMNATSHRALOX15
SCHEMBL9814241 0.83 TDP1 (0.81) TDP1SMN1; SMN2LMNATSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 US disclosed
US-8894970-B2 Arginase inhibitors and methods of use thereof CORRIDOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120171116-A1 Arginase Inhibitors and Methods of Use Thereof CORRIDOR PHARMACEUTICALS, INC. 2012-07-05 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (9 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-20120171116-A1 Arginase Inhibitors and Methods of Use Thereof ARG1, ARG2, PRMT1 TDP1 1134/4885SMN1; SMN2 3462/4885LMNA 3439/4885
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 TDP1 3522/4885SMN1; SMN2 4275/4885LMNA 4270/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TDP1 3522/4885SMN1; SMN2 4275/4885LMNA 4270/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TDP1 3522/4885SMN1; SMN2 4275/4885LMNA 4270/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 TDP1 2159/4885SMN1; SMN2 2806/4885LMNA 3616/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 TDP1 1684/4885SMN1; SMN2 1732/4885LMNA 3009/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 TDP1 3034/4885SMN1; SMN2 2894/4885LMNA 4361/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 TDP1 2848/4885SMN1; SMN2 2965/4885LMNA 3946/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 TDP1 3522/4885SMN1; SMN2 4275/4885LMNA 4270/4885

“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.