SCHEMBL4029057

SCHEMBL4029057

Cc1cccc2[nH]cc(C(=O)C(=O)Nc3ccncc3)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ TYK2 P29597 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NT5E P21589 1/20 0.39

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
SCHEMBL13043222 0.83 RAB9A (0.53) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL3194481 0.79 RAB9A (0.79) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL13043206 0.78 MAPT (0.50) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL31448000 0.76 NPC1 (0.51) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL3960635 0.75 GPR84 (0.49) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL3721316 0.75 GPR84 (0.49) RAB9ANPC1CASP3SENP7ALDH1A1
SCHEMBL18837110 0.74 NR4A2 (0.51) RAB9ANPC1CASP3SENP7ALDH1A1
SCHEMBL23538240 0.74 GPR84 (0.47) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL3995494 0.72 GPR84 (0.51) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL15356576 0.72 PBRM1 (0.56) NPC1KMT2AMEN1MAPTALDH1A1

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
EP-0931063-B3 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT ZIOPHARM ONCOLOGY INC (US) 2009-04-08 — — EP claimed
EP-1809279-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2007-07-25 — — EP claimed
EP-0931063-B1 N-SUBSTITUTED INDOL-3-GLYOXYLAMID WITH ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSIVE/IMMUNOMODULATING EFFECT BAXTER HEALTHCARE SA (CH) 2006-10-18 — — EP claimed
US-20060110462-A1 Nanoparticulate compositions of tubulin inhibitor compounds ZIOPHARM ONCOLOGY, INC. 2006-05-25 — — US claimed
WO-2006052712-A1 NANOPARTICULATE COMPOSITIONS OF TUBULIN INHIBITOR BAXTER INTERNATIONAL INC. (US) 2006-05-18 — — WO claimed
US-20030207892-A1 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action BAXTER HEALTHCARE S.A. (CH) 2003-11-06 — — US claimed
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ZIOPHARM ONCOLOGY, INC. 2002-10-31 — — US claimed

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-20030207892-A1 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT RAB9A 3745/4885NPC1 4369/4885CASP3 1301/4885
US-20020161025-A1 N-substituted indole-3glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action IDO1, IDO2, INMT RAB9A 3511/4885NPC1 4190/4885CASP3 865/4885
US-20060110462-A1 Nanoparticulate compositions of tubulin inhibitor compounds TUBB, TUBB1, TUBB6 RAB9A 3001/4885NPC1 1109/4885CASP3 1995/4885

“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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