SCHEMBL21790451

SCHEMBL21790451

CCCC(C)Nc1ccon1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HCAR3 P49019 1/20 0.41
CTSK P43235 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
CYP2D6 P10635 1/20 0.37
ELANE P08246 1/20 0.36
FFAR2 O15552 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CREBBP Q92793 1/20 0.34
PSMB5 P28074 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1753948 0.77
Hydrochloric Acid SCHEMBL14743836 0.71
SCHEMBL19489069 0.70 POLB (0.38) ATMCTSKRAB9ANPC1FFAR2
SCHEMBL7864847 0.70 ATM (0.42) ATMCTSKRAB9ANPC1CYP2D6
SCHEMBL7437809 0.69 ATM (0.58) ATMHCAR3RAB9ANPC1CYP2D6
SCHEMBL11277416 0.69 SMN1; SMN2 (0.47) HCAR3RAB9ANPC1UTS2RCYP2D6
SCHEMBL30593309 0.68 TLR8 (0.58) UTS2RTLR8TLR7
SCHEMBL4628818 0.68 FFAR2 (0.44) ATMRAB9ANPC1FFAR2POLB
SCHEMBL21018364 0.68 TLR8 (0.47) HCAR3UTS2RTLR8TLR7POLB
SCHEMBL22328218 0.68 HCAR3 (0.48) HCAR3UTS2RCYP2D6ELANETLR8

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-10738035-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-10738035-B2 Hepatitis B antiviral agents ZC3HAV1, ZC3HAV1L, HAVCR2 ATM 4841/4885HCAR3 1670/4885CTSK 1545/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ATM 2412/4885HCAR3 463/4885CTSK 3704/4885

“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.