SCHEMBL21146679

SCHEMBL21146679

Cc1cc(NC(=O)c2ccn(C)c2C(F)(F)C(=O)O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MST1R Q04912 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KIT P10721 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
SCHEMBL21146716 0.90 MAOB (0.39) MAOBCYP1A2THRBTP53POLB
SCHEMBL29390125 0.87 HTT (0.39) MAOBCYP1A2THRBTP53POLB
SCHEMBL21146220 0.87 HTT (0.39) MAOBCYP1A2THRBTP53POLB
SCHEMBL23456609 0.86 RAB9A (0.41) MAOBTHRBPOLBLMNAALDH1A1
SCHEMBL29390180 0.84 SLC10A1 (0.38) MAOBCYP1A2THRBPOLBALDH1A1
SCHEMBL29390789 0.84 POLB (0.36) MAOBTHRBPOLBLMNAMST1R
SCHEMBL21146494 0.84 SLC10A1 (0.38) MAOBCYP1A2THRBPOLBALDH1A1
SCHEMBL21146208 0.84 POLB (0.36) MAOBTHRBPOLBLMNAMST1R
SCHEMBL21062255 0.82 ALDH1A1 (0.35) MAOBCYP1A2THRBPOLBLMNA
SCHEMBL21062236 0.82 ALDH1A1 (0.35) MAOBCYP1A2THRBPOLBLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — 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 (2 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP MAOB 2822/4885CYP1A2 2946/4885THRB 1133/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP MAOB 2822/4885CYP1A2 2946/4885THRB 1133/4885

“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.

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