SCHEMBL791928

SCHEMBL791928

COCc1cccc(C(=O)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MRGPRX4 Q96LA9 5/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44

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
SCHEMBL1556278 0.87 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL19634282 0.83 GYS1 (0.58) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL21015931 0.83 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL20795336 0.82 MRGPRX4 (0.51) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL30406939 0.81 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL29866123 0.81 KMT2A (0.53) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL322040 0.81 KMT2A (0.53) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL3996930 0.81 KMT2A (0.53) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL565902 0.81 MRGPRX4 (0.67) SMN1; SMN2RAB9AMRGPRX4TP53PKM
SCHEMBL3149977 0.81 MAOB (0.57) SMN1; SMN2RAB9AMRGPRX4TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 — — EP disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 — — WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 — — US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 — — US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 — — US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 — — EP disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 — — US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885RAB9A 2410/4885NPC1 1131/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885RAB9A 2410/4885NPC1 1131/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 SMN1; SMN2 3574/4885RAB9A 258/4885NPC1 1212/4885

“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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