SCHEMBL4801570

SCHEMBL4801570

Nc1ccc(C(=O)C=Cc2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.63
▸ TUBB P07437 2/20 0.63
▸ TUBA3C P0DPH7 2/20 0.63
▸ TUBA1B P68363 2/20 0.63
▸ TUBA4A P68366 2/20 0.63
▸ TUBB4B P68371 2/20 0.63
▸ TUBB3 Q13509 2/20 0.63
▸ TUBB2A Q13885 2/20 0.63
▸ TUBB8 Q3ZCM7 2/20 0.63
▸ TUBA3E Q6PEY2 2/20 0.63
▸ TUBA1A Q71U36 2/20 0.63
▸ TUBA1C Q9BQE3 2/20 0.63
▸ TUBB6 Q9BUF5 2/20 0.63
▸ TUBB2B Q9BVA1 2/20 0.63
▸ TUBB1 Q9H4B7 2/20 0.63
▸ CYP1B1 Q16678 2/20 0.61
▸ KEAP1 Q14145 2/20 0.56
▸ NFE2L2 Q16236 2/20 0.56
▸ HSP90AA1 P07900 2/20 0.56
▸ CYP3A4 P08684 4/20 0.56

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
SCHEMBL6490600 1.00 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15882451 0.92 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15882450 0.92 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Wr-190433 SCHEMBL29870441 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Wr-190433 SCHEMBL30880222 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Wr-190433 SCHEMBL977482 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Wr-190433 SCHEMBL6180067 0.86 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11473136 0.85 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1604279 0.85 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11473133 0.85 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 — — US disclosed
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 — — US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 — — EP disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 — — US disclosed
EP-1119568-B1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 — — EP disclosed
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use FREYNE EDDY JEAN EDGARD (BE) 2004-01-29 — — US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 — — EP disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 — — US disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 — — WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 — — WO disclosed
EP-1119568-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 — — EP disclosed
WO-2000021959-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-20 — — WO 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-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use CBR1, CYP2D6, HSD3B1 TUBB4A 2566/4885TUBB 2518/4885TUBA3C 1345/4885
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 TUBB4A 2807/4885TUBB 2520/4885TUBA3C 4629/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 TUBB4A 4141/4885TUBB 3440/4885TUBA3C 4616/4885

“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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