SCHEMBL20042138

SCHEMBL20042138

Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(Nc4ccc(C#N)cc4)n3)C(=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 1/20 0.43
▸ CCR6 P51684 2/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GPR6 P46095 1/20 0.41
▸ IKBKB O14920 2/20 0.40
▸ CHUK O15111 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ PKM P14618 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
SCHEMBL18162488 0.91 CCR6 (0.49) MAPTLMNACCR6ABCG2IKBKB
SCHEMBL23221570 0.91 MAPT (0.44) MAPTLMNACCR6ABCG2GPR6
SCHEMBL18162550 0.86 KMT2A (0.53) MAPTLMNATP53GAAAURKA
SCHEMBL18162420 0.86 MAPT (0.54) MAPTLMNACCR6SLC2A1ABCG2
SCHEMBL20042140 0.84 MAPT (0.48) MAPTLMNACCR6SLC2A1ABCG2
SCHEMBL20042139 0.82 MAPT (0.49) MAPTLMNACCR6SLC2A1ABCG2
SCHEMBL18162582 0.81 ABCG2 (0.47) MAPTLMNASLC2A1ABCG2TP53
SCHEMBL18162483 0.79 PKM (0.65) MAPTLMNAGPR6L3MBTL1GAA
SCHEMBL18153354 0.79 GAA (0.51) MAPTLMNAABCG2GPR6IKBKB
SCHEMBL18153412 0.79 ABCG2 (0.47) MAPTLMNASLC2A1ABCG2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 — — US 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 (1 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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS MAPT 4486/4885LMNA 3744/4885CCR6 1383/4885

“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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