SCHEMBL18853896

SCHEMBL18853896

CNS(=O)(=O)c1ccc(-c2cccnc2C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTGS2 P35354 3/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA13 Q8N1Q1 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL18853879 0.87 NPSR1 (0.48) SMN1; SMN2PTGS2PTGS1GAACA12
SCHEMBL14555904 0.83 PTGS2 (0.61) DRD1PTGS2PTGS1
SCHEMBL15730108 0.83 DRD1 (0.54) DRD1SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL14555429 0.82 CA2 (0.60) DRD1PTGS2PTGS1CA12CA1
SCHEMBL15723958 0.80 LMNA (0.50) SMN1; SMN2GAALMNAHTTALDH1A1
SCHEMBL15723918 0.79 PTGS2 (0.43) SMN1; SMN2NPC1RAB9APTGS2PTGS1
SCHEMBL18854062 0.79 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNAHTTALDH1A1
SCHEMBL20371668 0.79 ALDH1A1 (0.55) SMN1; SMN2PTGS2PTGS1CA1CA2
SCHEMBL23501943 0.78 DRD1 (0.52) DRD1SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL18853897 0.77 IKBKB (0.49) LMNAALDH1A1IKBKBCHUKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN DRD1 3722/4885SMN1; SMN2 3500/4885NPC1 2/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN DRD1 3722/4885SMN1; SMN2 3500/4885NPC1 2/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN DRD1 3722/4885SMN1; SMN2 3500/4885NPC1 2/4885

“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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