SCHEMBL18998744

SCHEMBL18998744

C[C@H]1CCCN1c1ccc(-c2cccc(NC(=O)C3CC3)c2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.49
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CFD P00746 1/20 0.41

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
SCHEMBL18998751 1.00 AR (0.49) ARHPGDALDH1A1KMT2AHSD17B10
SCHEMBL18998794 0.87 HPGD (0.46) ARHPGDALDH1A1KMT2AHSD17B10
SCHEMBL18998750 0.86 KMT2A (0.43) ARHPGDALDH1A1KMT2AHSD17B10
SCHEMBL18998748 0.86 AR (0.56) ARHPGDALDH1A1KMT2AHSD17B10
SCHEMBL18998743 0.85 HPGD (0.53) HPGDALDH1A1KMT2AHSD17B10MAPT
SCHEMBL18983884 0.84 USP30 (0.50) AR
SCHEMBL18983882 0.84 USP30 (0.50) AR
SCHEMBL18984050 0.84 USP30 (0.50) AR
SCHEMBL18998529 0.82 ALPI (0.44) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL18998518 0.82 ALPI (0.44) HPGDALDH1A1KMT2AHSD17B10KDM4E

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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 — — 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS AR 2671/4885HPGD 4072/4885ALDH1A1 4260/4885

“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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