SCHEMBL19984601

SCHEMBL19984601

Cc1[nH]c2cc(C(=O)NCc3cnc(C(F)(F)F)s3)ccc2c1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
ROCK2 O75116 4/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ADCY8 P40145 1/20 0.35
ADCY1 Q08828 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 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
SCHEMBL19984637 0.83 HTR1D (0.40) RAB9ANPC1POLBROCK2EPHX2
SCHEMBL21273273 0.80 TNKS2 (0.42) RAB9ANPC1POLBROCK2ALDH1A1
SCHEMBL19984584 0.78 PDE4A (0.47) RAB9ANPC1ROCK2ALDH1A1KDM4E
SCHEMBL19984583 0.76 AR (0.39) RAB9ANPC1POLBROCK2ALDH1A1
SCHEMBL6076536 0.71 KDM4E (0.48) RAB9AALDH1A1KDM4EKMT2A
SCHEMBL14448734 0.70 KIF11 (0.51) RAB9APOLBALDH1A1KDM4EGAA
SCHEMBL14435055 0.69 SCN9A (0.56) RAB9A
SCHEMBL19984643 0.68 POLB (0.45) RAB9ANPC1POLBEPHX2ALDH1A1
SCHEMBL19316391 0.68 GABRA1 (0.44) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL18667777 0.68 IMPDH2 (0.53) RAB9ANPC1ROCK2ALDH1A1KDM4E

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 RAB9A 1059/4885NPC1 294/4885POLB 1770/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS RAB9A 1059/4885NPC1 294/4885POLB 1770/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS RAB9A 1059/4885NPC1 294/4885POLB 1770/4885

“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.