SCHEMBL15723958

SCHEMBL15723958

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.50
▸ HTT P42858 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ IKBKB O14920 3/20 0.46
▸ CHUK O15111 3/20 0.46
▸ NAMPT P43490 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NEK1 Q96PY6 2/20 0.40

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
SCHEMBL15730136 0.86 LMNA (0.53) LMNAHTTSMN1; SMN2IKBKBCHUK
SCHEMBL18853896 0.80 DRD1 (0.50) LMNAHTTSMN1; SMN2IKBKBCHUK
SCHEMBL18853879 0.79 NPSR1 (0.48) SMN1; SMN2ALDH1A1GAAADORA2BALOX12
SCHEMBL14555904 0.76 PTGS2 (0.61) —
SCHEMBL20371668 0.75 ALDH1A1 (0.55) SMN1; SMN2IKBKBCHUKALDH1A1KDM4E
SCHEMBL14555429 0.74 CA2 (0.60) IKBKBCHUK
SCHEMBL15724378 0.74 LMNA (0.55) LMNAHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9228822 0.74 LMNA (0.56) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL22558823 0.74 ALDH1A1 (0.63) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL15723918 0.72 PTGS2 (0.43) LMNAHTTSMN1; SMN2IKBKBCHUK

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-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-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
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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 (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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885HTT 4049/4885SMN1; SMN2 3500/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885HTT 4049/4885SMN1; SMN2 3500/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885HTT 4049/4885SMN1; SMN2 3500/4885

“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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