SCHEMBL19984637

SCHEMBL19984637

O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(C3CCCCC3)c[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.40
HTR1B P28222 2/20 0.40
APP P05067 1/20 0.39
KCNH2 Q12809 1/20 0.38
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1F P30939 1/20 0.37
CCNT1 O60563 2/20 0.36
CCNK O75909 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
EPHX2 P34913 2/20 0.36
CCR2 P41597 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
F10 P00742 2/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL19984601 0.83 RAB9A (0.38) RAB9APOLBEPHX2PPARGROCK2
SCHEMBL19984584 0.82 PDE4A (0.47) RAB9AROCK2NPC1ALDH1A1HPGD
SCHEMBL21273273 0.75 TNKS2 (0.42) RAB9APOLBROCK2NPC1ALDH1A1
SCHEMBL19984583 0.72 AR (0.39) RAB9APOLBROCK2NPC1ALDH1A1
SCHEMBL1173806 0.70 KMO (0.47) APPPOLBF10ALDH1A1HPGD
SCHEMBL13965798 0.69 ADRA1D (0.43) HTR1DHTR1BAPPKCNH2POLB
SCHEMBL19984748 0.69 SMYD3 (0.41)
SCHEMBL1173489 0.69 KMO (0.44) APPPOLBF10ALDH1A1HPGD
SCHEMBL51234 0.69 NPC1 (0.53) APPRAB9APOLBCCR2NPC1
SCHEMBL1173868 0.67 NPC1 (0.54) APPRAB9APOLBNPC1ALDH1A1

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 HTR1D 4367/4885HTR1B 1730/4885APP 3156/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HTR1D 4367/4885HTR1B 1730/4885APP 3156/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HTR1D 4367/4885HTR1B 1730/4885APP 3156/4885

“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.