SCHEMBL889034

SCHEMBL889034

CC1CCCC1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.49
FPR2 P25090 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
EPHX1 P07099 1/20 0.48
POLB P06746 1/20 0.47
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL889076 0.97 HTT (0.54) SMN1; SMN2HTTKDM4ERAB9ANPC1
SCHEMBL889032 0.90 KMT2A (0.54) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL889041 0.83 KMT2A (0.66) SMN1; SMN2KDM4ERAB9ANPC1KMT2A
SCHEMBL7824367 0.79 RAB9A (0.72) SMN1; SMN2HTTKDM4ERAB9AKMT2A
SCHEMBL12810219 0.76 FPR2 (0.47) RAB9ANPC1KMT2AFPR2MEN1
SCHEMBL12203732 0.76 HPGD (0.44) KDM4EKMT2AMEN1MAPTHPGD
SCHEMBL14224001 0.75 HTT (0.47) SMN1; SMN2HTTKDM4ERAB9ANPC1
SCHEMBL791775 0.75 HTT (0.50) SMN1; SMN2HTTKDM4ERAB9ANPC1
SCHEMBL2719839 0.74 NAMPT (0.67) SMN1; SMN2HTTKDM4ERAB9ANPC1
SCHEMBL12810218 0.74 FPR2 (0.47) SMN1; SMN2HTTKDM4ERAB9ANPC1

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-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SMN1; SMN2 4269/4885HTT 4573/4885KDM4E 1139/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SMN1; SMN2 4269/4885HTT 4573/4885KDM4E 1139/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SMN1; SMN2 4269/4885HTT 4573/4885KDM4E 1139/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SMN1; SMN2 4269/4885HTT 4573/4885KDM4E 1139/4885

“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.