SCHEMBL20457963

SCHEMBL20457963

CC(C)c1ccc(N2CCN(C3CCOCC3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM2B Q8NHM5 4/20 0.39
TLR9 Q9NR96 3/20 0.39
TLR8 Q9NR97 3/20 0.39
TLR7 Q9NYK1 3/20 0.39
NPC1 O15118 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
DRD2 P14416 1/20 0.38
CYP11B2 P19099 1/20 0.37
ACACB O00763 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL14924073 0.90 KDM2B (0.48) HPGDSMN1; SMN2ALDH1A1LMNAKDM2B
SCHEMBL20457853 0.89 NPC1 (0.40) HPGDSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL17660585 0.86 KDM4E (0.37) HPGDSMN1; SMN2ALDH1A1LMNAKDM2B
SCHEMBL17660584 0.86 ABCB1 (0.47) KDM2BTSHRMAPT
SCHEMBL17665062 0.84 SMN1; SMN2 (0.49) HPGDSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL1104672 0.83 SMN1; SMN2 (0.52) HPGDSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL14924068 0.82 L3MBTL3 (0.46) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL17630357 0.81 ALDH1A1 (0.57) HPGDSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL14924049 0.81 L3MBTL3 (0.45) HPGDSMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL17660589 0.80 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1LMNAKDM2BCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 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 (2 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-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HPGD 4072/4885SMN1; SMN2 2291/4885ALDH1A1 4260/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HPGD 4072/4885SMN1; SMN2 2291/4885ALDH1A1 4260/4885

“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.