SCHEMBL890116

SCHEMBL890116

Cc1ccc(-c2ccc(C(C)C)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LRRK2 Q5S007 4/20 0.35
ACACB O00763 1/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL888893 0.89 CHRNA7 (0.36) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL18326648 0.88 ESR1 (0.35) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL18650592 0.84 LMNA (0.37) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL5018725 0.83 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL889387 0.83 EGLN1 (0.44) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL10313050 0.83 HPGDS (0.43) NPC1RAB9ALMNAPKM
SCHEMBL101583 0.82 CCR1 (0.50) RAB9ALMNAKDM4EMAPTMETAP2
SCHEMBL12810159 0.82 CYP1A2 (0.43) SMN1; SMN2ALDH1A1PDGFRBPDGFRACCR1
SCHEMBL10140598 0.82 APP (0.36) EGLN1METAP2
SCHEMBL22184930 0.82 GPR55 (0.40) PDGFRBPDGFRAACACBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-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 (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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SMN1; SMN2 4269/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 NPC1 34/4885RAB9A 3060/4885SMN1; SMN2 4269/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 NPC1 411/4885RAB9A 2060/4885SMN1; SMN2 4303/4885

“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.