SCHEMBL19984594

SCHEMBL19984594

COC(=O)CC1CCCCN1c1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 7/20 0.47
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL21273267 0.86 ALDH1A1 (0.49) KMT2AMAPTALDH1A1KDM4EGAA
SCHEMBL2482873 0.83 HPGD (0.56) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL195322 0.77 ALDH1A1 (0.70) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL26623883 0.76 MAPT (0.43) MAPTALDH1A1MAPK1
SCHEMBL2417353 0.75 GPR174 (0.59) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL14335036 0.74 MAPT (0.62) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL14334778 0.74 MAPT (0.53) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL14334390 0.74 MAPT (0.59) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL14334569 0.74 MAPT (0.59) KMT2AHPGDMEN1MAPTALDH1A1
SCHEMBL14377108 0.72 MAPT (0.63) KMT2AHPGDMEN1MAPTALDH1A1

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 4 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-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
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 KMT2A 3876/4885HPGD 2902/4885MEN1 4865/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KMT2A 3876/4885HPGD 2902/4885MEN1 4865/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS KMT2A 3876/4885HPGD 2902/4885MEN1 4865/4885

“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.