SCHEMBL889041

SCHEMBL889041

CC1CC1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
KDM4E B2RXH2 1/20 0.54
GRM5 P41594 1/20 0.53
GRM1 Q13255 1/20 0.53
FPR2 P25090 3/20 0.49
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
DEGS1 O15121 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOA P21397 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
SCHEMBL889032 0.90 KMT2A (0.54) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL13696943 0.84 NPC1 (0.68) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL889034 0.83 SMN1; SMN2 (0.50) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL889076 0.83 HTT (0.54) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL19297616 0.82 F13A1 (0.49) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL19711817 0.82 NPC1 (0.66) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL23992767 0.81 SMN1; SMN2 (0.81) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL18214318 0.81 SMN1; SMN2 (0.81) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1947827 0.79 RAB9A (0.61) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2578594 0.78 MEN1 (0.60) KMT2ANPC1RAB9AMEN1MAPT

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 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885

“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.