SCHEMBL19984748

SCHEMBL19984748

O=C1CC2CCCCN2c2ccc(C(=O)NCc3cnc(C(F)(F)F)s3)cc2N1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 16/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 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
SCHEMBL19984638 0.81 EGLN1 (0.39) SMYD3MEN1KMT2ANTRK1
SCHEMBL19984639 0.73 HSD17B10 (0.48) SMYD3MEN1KMT2A
SCHEMBL19984708 0.71 HSD17B10 (0.67) SMYD3MEN1KMT2A
SCHEMBL18667803 0.70 DRD2 (0.36) MEN1KMT2A
SCHEMBL18667779 0.70 DRD2 (0.37) SMYD3MEN1KMT2A
SCHEMBL18667569 0.69 DRD2 (0.37) MEN1KMT2A
SCHEMBL18667143 0.69 ALDH1A1 (0.38) KMT2A
SCHEMBL19984643 0.69 POLB (0.45) MEN1KMT2A
SCHEMBL18667786 0.69 ABL1 (0.42) KMT2A
SCHEMBL19984637 0.69 HTR1D (0.40)

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 SMYD3 3753/4885MEN1 4865/4885KMT2A 3876/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMYD3 3753/4885MEN1 4865/4885KMT2A 3876/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMYD3 3753/4885MEN1 4865/4885KMT2A 3876/4885

“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.