SCHEMBL19975056

SCHEMBL19975056

COC(=O)c1ccccc1Sc1ccncc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 5/20 0.60
GAA P10253 2/20 0.60
GLA P06280 1/20 0.60
HSD17B10 Q99714 5/20 0.50
CFTR P13569 2/20 0.50
MAPT P10636 4/20 0.49
PKLR P30613 1/20 0.47
POLB P06746 2/20 0.46
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.42
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL1340573 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL19984764 0.83 KDM4E (0.58) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL4440485 0.81 HSD17B10 (0.64) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL19975012 0.80 SLC6A2 (0.53) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL17047613 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL17080270 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL9860403 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHSD17B10CFTR
SCHEMBL29464551 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL535568 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL3409694 0.76 ABL1 (0.60) ALDH1A1KDM4EGAAHSD17B10CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 US disclosed
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 3992/4885KDM4E 2469/4885GAA 2421/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885KDM4E 2469/4885GAA 2421/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885KDM4E 2469/4885GAA 2421/4885

“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.