SCHEMBL19984542

SCHEMBL19984542

O=C1Nc2cc(Br)ccc2S(=O)(=O)N2CCCC12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PARP1 P09874 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
CHEK1 O14757 1/20 0.36
MAP2K1 Q02750 1/20 0.36
LRRK2 Q5S007 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 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
SCHEMBL19984618 0.96 KMT2A (0.39) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984544 0.81 HSD17B10 (0.47) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL5069696 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984716 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL6540956 0.70 KMT2A (0.66) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL31694053 0.70 KMT2A (0.66) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984752 0.69 PARP1 (0.41) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL10281626 0.63 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL708740 0.63 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL22278441 0.62 KMT2A (0.48) ALDH1A1KDM4EMAPTGAAKMT2A

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 7 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
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 2469/4885MAPT 3090/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885KDM4E 2469/4885MAPT 3090/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 3992/4885KDM4E 2469/4885MAPT 3090/4885

“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.