SCHEMBL4796534

SCHEMBL4796534

Nc1ccc(C(=NO)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ GFER P55789 2/20 0.57
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ MAPK14 Q16539 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL24127723 1.00 HPGD (0.57) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL4796530 1.00 HPGD (0.57) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL24114838 0.91 MASP2 (0.46) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL28341134 0.88 HPGD (0.68) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL273196 0.85 HPGD (0.64) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL27961040 0.85 HPGD (0.64) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL31099419 0.84 NPFFR1 (0.50) HPGDALDH1A1GFERKMT2ASMN1; SMN2
Water SCHEMBL9518556 0.83 HPGD (0.61) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL9703264 0.81 PBRM1 (0.55) HPGDALDH1A1GFERKMT2ASMN1; SMN2
SCHEMBL9703489 0.81 PBRM1 (0.55) HPGDALDH1A1GFERKMT2ASMN1; SMN2

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 6 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
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
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 — — US 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 (1 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 HPGD 96/4885ALDH1A1 396/4885GFER 1048/4885

“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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